CAS
968-85-4 Purity
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968-85-4 Purity
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4-Anilino-1-benzyl-4-cyanopiperidine
CAS
968-86-5
Catalog Number
ACM968865
Category
Other Products
Molecular Weight
291.39
Molecular Formula
C19H21N3
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Specification
Synonyms
Oprea1_077623, Oprea1_583104, MLS000768129, NSC73005, MolPort-001-011-489, ALBB-006604, CID70412, EINECS 213-533-0, STK504026, 4-Anilino-1-benzylpiperidine-4-carbonitrile, SMR000431508, EU-0099857, 1-Benzyl-4-phenylamino-piperidine-4-carbonitrile, 1-benzyl-4-(phenylamino)piperidine-4-carbonitrile, A0707/0032987, Piperidine-4-carbonitrile, 1-benzyl-4-phenylamino-, 4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-, 968-86-5
IUPAC Name
4-anilino-1-benzylpiperidine-4-carbonitrile
InChI Key
AYYPQRMTCMCFSL-UHFFFAOYSA-N
Exact Mass
291.17400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound in the reference?
The molecular formula is C19H21N3.
What is the molecular weight of the compound?
The molecular weight is 291.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-anilino-1-benzylpiperidine-4-carbonitrile.
What is the InChI of the compound?
The InChI is InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2.
What is the InChIKey of the compound?
The InChIKey is AYYPQRMTCMCFSL-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3.
What is the CAS number of the compound?
The CAS number is 968-86-5.
What is the ChEMBL ID of the compound?
The ChEMBL ID is CHEMBL2135258.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.6.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 1.
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