CAS
898792-51-3 Purity
96%
898792-51-3 Purity
96%
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3-(Piperidinomethyl)benzophenone
CAS
898792-54-6
Catalog Number
ACM898792546
Category
Other Products
Molecular Weight
279.38
Molecular Formula
C19H21NO
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Specification
Synonyms
3-(PIPERIDINOMETHYL)BENZOPHENONE
IUPAC Name
phenyl-[3-(piperidin-1-ylmethyl)phenyl]methanone
Canonical SMILES
C1CCN(CC1)CC2=CC=CC(=C2)C(=O)C3=CC=CC=C3
InChI Key
UCSZPHGBCMWTDM-UHFFFAOYSA-N
Boiling Point
416.1ºC at 760 mmHg
Flash Point
154ºC
Density
1.1g/cm³
Exact Mass
279.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C19H21NO.
When was the compound created and last modified?
The compound was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is phenyl-[3-(piperidin-1-ylmethyl)phenyl]methanone.
What is the InChIKey of the compound?
The InChIKey of the compound is UCSZPHGBCMWTDM-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 2 hydrogen bond acceptors.
What is the molecular weight of the compound?
The molecular weight of the compound is 279.4 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 20.3Ų.
How many rotatable bonds does the compound have?
The compound has 4 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 4.5.
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