2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile

C20H23N3O2 — CID 56749495

IUPAC2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCOc1ccc(CC2(CO)CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-25-18-4-2-16(3-5-18)13-20(15-24)7-10-23(11-8-20)19-12-17(14-21)6-9-22-19/h2-6,9,12,24H,7-8,10-11,13,15H2,1H3
InChIKeyLTGCMVQGZLMGJU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.78
Rot. Bonds5

About 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile

2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 56749495) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID56749495
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCOc1ccc(CC2(CO)CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-25-18-4-2-16(3-5-18)13-20(15-24)7-10-23(11-8-20)19-12-17(14-21)6-9-22-19/h2-6,9,12,24H,7-8,10-11,13,15H2,1H3
InChIKeyLTGCMVQGZLMGJU-UHFFFAOYSA-N
XLogP2.78
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine hydrochloride
CID 80139
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
1-(4-{2-[Methyl(2-pyridinyl)amino]ethoxy}phenyl)-1-ethanol
CID 4421960
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
[3H]pyrilamine
CID 656400
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
(E)-3-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 24241463
(4-Propan-2-ylphenyl) 4-(5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 139547672
2-Amino-6-(4-methoxyphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 1862355
1-[4-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1377542

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile (CID 56749495) is 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile is COc1ccc(CC2(CO)CCN(c3cc(C#N)ccn3)CC2)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is LTGCMVQGZLMGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-4-2-16(3-5-18)13-20(15-24)7-10-23(11-8-20)19-12-17(14-21)6-9-22-19/h2-6,9,12,24H,7-8,10-11,13,15H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).