[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol

C18H22N2O — CID 105066691

IUPAC[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c21-14-17-6-9-19-13-18(17)20-10-7-16(8-11-20)12-15-4-2-1-3-5-15/h1-6,9,13,16,21H,7-8,10-12,14H2
InChIKeyPYNDEKKOENGOOR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.03
Rot. Bonds4

About [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol

[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol (PubChem CID 105066691) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
PubChem CID105066691
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c21-14-17-6-9-19-13-18(17)20-10-7-16(8-11-20)12-15-4-2-1-3-5-15/h1-6,9,13,16,21H,7-8,10-12,14H2
InChIKeyPYNDEKKOENGOOR-UHFFFAOYSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799569
[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 81237725
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
2-(4-benzylpiperidin-1-yl)-5-(2-methylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 1054199
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol (CID 105066691) is [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol is OCc1ccncc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol?
The InChIKey is PYNDEKKOENGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-14-17-6-9-19-13-18(17)20-10-7-16(8-11-20)12-15-4-2-1-3-5-15/h1-6,9,13,16,21H,7-8,10-12,14H2.
What are the key properties of [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol?
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol has a molecular weight of 282.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105066691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).