1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C16H25N3O — CID 77091703

IUPAC1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H25N3O/c20-16(14-19-8-1-2-9-19)5-10-18(11-6-16)13-15-4-3-7-17-12-15/h3-4,7,12,20H,1-2,5-6,8-11,13-14H2
InChIKeyZRJRZXJPHHIYES-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds4

About 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 77091703) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID77091703
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H25N3O/c20-16(14-19-8-1-2-9-19)5-10-18(11-6-16)13-15-4-3-7-17-12-15/h3-4,7,12,20H,1-2,5-6,8-11,13-14H2
InChIKeyZRJRZXJPHHIYES-UHFFFAOYSA-N
XLogP1.50
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Pyrrolidinoethyl)pyridine
CID 238432
4-[2-(1-Piperidinyl)ethyl]pyridine
CID 83476
N-(3-Pyridylmethyl)Pyrrolidine
CID 67786
1-Ethyl-4-(pyridin-3-ylmethyl)piperazine
CID 763449
3-[2-(3-Pyridinyl)ethynyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 18936264
3-Pyridylethyl-2-(N-pyrrolidine)
CID 23273673
Piperidine, 1-(2-(3-pyridyl)ethyl)-
CID 83475
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
N,1-dimethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 2838365
2-[1-(2,2-Dimethylpropyl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 23723941
N-(3-Pyridylmethyl)morpholine
CID 87290

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 77091703) is 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is OC1(CN2CCCC2)CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is ZRJRZXJPHHIYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(14-19-8-1-2-9-19)5-10-18(11-6-16)13-15-4-3-7-17-12-15/h3-4,7,12,20H,1-2,5-6,8-11,13-14H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 275.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 77091703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).