(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride

C14H18ClNO2 — CID 70096339

IUPAC(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride
SMILESCC1=CCN(Cc2ccccc2)[C@@H](C(=O)O)C1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-11-7-8-15(13(9-11)14(16)17)10-12-5-3-2-4-6-12;/h2-7,13H,8-10H2,1H3,(H,16,17);1H/t13-;/m1./s1
InChIKeyQVDYCWFDLNWXEK-BTQNPOSSSA-N
MW267.76 g/mol
LogP2.71
Rot. Bonds3

About (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride

(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride (PubChem CID 70096339) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride
PubChem CID70096339
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride
SMILESCC1=CCN(Cc2ccccc2)[C@@H](C(=O)O)C1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-11-7-8-15(13(9-11)14(16)17)10-12-5-3-2-4-6-12;/h2-7,13H,8-10H2,1H3,(H,16,17);1H/t13-;/m1./s1
InChIKeyQVDYCWFDLNWXEK-BTQNPOSSSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 14470232
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
1-benzylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67045968
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate
CID 131859938
1-benzyl-4-chloro-5-formyl-2,3,6,7-tetrahydroazepine-2-carboxylic acid
CID 88738060
(3S)-2-benzyl-7-fluoro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 51440862
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 138114242
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride (CID 70096339) is (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride is CC1=CCN(Cc2ccccc2)[C@@H](C(=O)O)C1.Cl.
What is the InChIKey of (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is QVDYCWFDLNWXEK-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-11-7-8-15(13(9-11)14(16)17)10-12-5-3-2-4-6-12;/h2-7,13H,8-10H2,1H3,(H,16,17);1H/t13-;/m1./s1.
What are the key properties of (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride?
(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70096339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).