1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

C17H20N2O — CID 91146391

IUPAC1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CN(Cc2ccccc2)CC1Cc1ccccn1
InChIInChI=1S/C17H20N2O/c20-17-13-19(11-14-6-2-1-3-7-14)12-15(17)10-16-8-4-5-9-18-16/h1-9,15,17,20H,10-13H2
InChIKeyHEMPCBJUOJCWSC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds4

About 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 91146391) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID91146391
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CN(Cc2ccccc2)CC1Cc1ccccn1
InChIInChI=1S/C17H20N2O/c20-17-13-19(11-14-6-2-1-3-7-14)12-15(17)10-16-8-4-5-9-18-16/h1-9,15,17,20H,10-13H2
InChIKeyHEMPCBJUOJCWSC-UHFFFAOYSA-N
XLogP2.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-pyridineethanol
CID 78894
Phenyl(pyridin-2-yl)methanol
CID 315585
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butan-2-ol
CID 44404355
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-pentan-2-ol
CID 44404356
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-hexan-2-ol
CID 44404363
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-2-yl-propyl)-piperidin-4-ol
CID 496983
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-3-yl-propyl)-piperidin-4-ol
CID 496984
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-4-yl-propyl)-piperidin-4-ol
CID 496985
2-[1-(2-Phenylethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 16189129
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (CID 91146391) is 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is OC1CN(Cc2ccccc2)CC1Cc1ccccn1.
What is the InChIKey of 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is HEMPCBJUOJCWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-13-19(11-14-6-2-1-3-7-14)12-15(17)10-16-8-4-5-9-18-16/h1-9,15,17,20H,10-13H2.
What are the key properties of 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 268.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 91146391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).