CAS
948553-02-4 Purity
96%
948553-02-4 Purity
96%
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4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester
CAS
948553-90-0
Catalog Number
ACM948553900
Category
Other Products
Molecular Weight
297.369960 [g/mol]
Molecular Formula
C14H19NO4S
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Specification
Synonyms
948553-90-0, AKOS015961282, AC-13608, DB-080131, KB-291301, 4-PIPERIDINECARBOXYLICACID,4- -,ETHYLESTER, 4-(phenylsulfonyl)-4-Piperidinecarboxylic acid ethyl ester, 4-piperidinecarboxylic acid,4-(phenylsulfonyl)-,ethyl ester, 4-(4-R-Benzenesulfonyl -1-R-piperidine -4-carboxylic acid ethyl ester
IUPAC Name
ethyl 4-(benzenesulfonyl)piperidine-4-carboxylate
Canonical SMILES
CCOC(=O)C1(CCNCC1)S(=O)(=O)C2=CC=CC=C2
InChI Key
XSHWEWSJFSKHGQ-UHFFFAOYSA-N
Boiling Point
460.6±45.0 °C (760 mmHg)
Density
1.227±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
297.10300
H-Bond Acceptor
5
H-Bond Donor
1
What is the PubChem CID for 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester?
PubChem CID 29921287
What is the molecular formula of 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester?
C14H19NO4S
When was 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester created in PubChem?
It was created on May 28, 2009.
What is the molecular weight of 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester?
297.37 g/mol
What is the IUPAC name of 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester?
Ethyl 4-(benzenesulfonyl)piperidine-4-carboxylate
What is the InChIKey of 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester?
XSHWEWSJFSKHGQ-UHFFFAOYSA-N
How many hydrogen bond acceptors does 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester have?
5
What is the topological polar surface area of 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester?
80.8 Å2
Does 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester have any defined atom stereocenters?
No, it has 0 defined atom stereocenters.
Is 4-(Phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester considered a canonicalized compound in PubChem?
Yes, it is considered canonicalized in PubChem.
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