(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile

C15H20N2O — CID 14084732

IUPAC(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile
SMILESCOc1cccc(C[C@@H]2CCN(C)[C@@H](C#N)C2)c1
InChIInChI=1S/C15H20N2O/c1-17-7-6-13(9-14(17)11-16)8-12-4-3-5-15(10-12)18-2/h3-5,10,13-14H,6-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyRBCGVOCMELQBDQ-UONOGXRCSA-N
MW244.34 g/mol
LogP2.47
Rot. Bonds3

About (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile

(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile (PubChem CID 14084732) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile
PubChem CID14084732
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile
SMILESCOc1cccc(C[C@@H]2CCN(C)[C@@H](C#N)C2)c1
InChIInChI=1S/C15H20N2O/c1-17-7-6-13(9-14(17)11-16)8-12-4-3-5-15(10-12)18-2/h3-5,10,13-14H,6-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyRBCGVOCMELQBDQ-UONOGXRCSA-N
XLogP2.47
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[(3-methoxyphenyl)methyl]cycloheptane
CID 64509318
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
CID 86802047
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 126808966
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile?
The IUPAC name of (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile (CID 14084732) is (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile.
What is the SMILES notation for (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile?
The canonical SMILES for (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile is COc1cccc(C[C@@H]2CCN(C)[C@@H](C#N)C2)c1.
What is the InChIKey of (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile?
The InChIKey is RBCGVOCMELQBDQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-7-6-13(9-14(17)11-16)8-12-4-3-5-15(10-12)18-2/h3-5,10,13-14H,6-9H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile?
(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile is sourced from PubChem (CID 14084732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).