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

C16H25N3O — CID 70771558

IUPAC1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C16H25N3O/c20-16(13-18-9-1-2-10-18)6-3-11-19(14-16)12-15-4-7-17-8-5-15/h4-5,7-8,20H,1-3,6,9-14H2
InChIKeyFFFMWUUHAIPIQT-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds4

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

1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70771558) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70771558
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C16H25N3O/c20-16(13-18-9-1-2-10-18)6-3-11-19(14-16)12-15-4-7-17-8-5-15/h4-5,7-8,20H,1-3,6,9-14H2
InChIKeyFFFMWUUHAIPIQT-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

Analyze 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70771558) is 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is OC1(CN2CCCC2)CCCN(Cc2ccncc2)C1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is FFFMWUUHAIPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(13-18-9-1-2-10-18)6-3-11-19(14-16)12-15-4-7-17-8-5-15/h4-5,7-8,20H,1-3,6,9-14H2.
What are the key properties of 1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-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-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70771558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).