(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile

C14H16N2O — CID 102473074

IUPAC(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCOc1ccc([C@@H]2CCC(C#N)=C(C)N2)cc1
InChIInChI=1S/C14H16N2O/c1-10-12(9-15)5-8-14(16-10)11-3-6-13(17-2)7-4-11/h3-4,6-7,14,16H,5,8H2,1-2H3/t14-/m0/s1
InChIKeyPNYQAAHGJHDKLJ-AWEZNQCLSA-N
MW228.30 g/mol
LogP2.92
Rot. Bonds2

About (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile

(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 102473074) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID102473074
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCOc1ccc([C@@H]2CCC(C#N)=C(C)N2)cc1
InChIInChI=1S/C14H16N2O/c1-10-12(9-15)5-8-14(16-10)11-3-6-13(17-2)7-4-11/h3-4,6-7,14,16H,5,8H2,1-2H3/t14-/m0/s1
InChIKeyPNYQAAHGJHDKLJ-AWEZNQCLSA-N
XLogP2.92
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 132590268
2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 172635786
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136786133
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807
4-(4-methoxyphenyl)-1,3-diazinane
CID 123665094
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 102473074) is (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is COc1ccc([C@@H]2CCC(C#N)=C(C)N2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is PNYQAAHGJHDKLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-12(9-15)5-8-14(16-10)11-3-6-13(17-2)7-4-11/h3-4,6-7,14,16H,5,8H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 102473074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).