1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C17H24F2N2O — CID 70727854

IUPAC1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C17H24F2N2O/c18-15-6-4-5-14(16(15)19)11-21-10-7-17(22,13-21)12-20-8-2-1-3-9-20/h4-6,22H,1-3,7-13H2
InChIKeyWESLYWJCWAGNPO-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.39
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 70727854) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID70727854
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C17H24F2N2O/c18-15-6-4-5-14(16(15)19)11-21-10-7-17(22,13-21)12-20-8-2-1-3-9-20/h4-6,22H,1-3,7-13H2
InChIKeyWESLYWJCWAGNPO-UHFFFAOYSA-N
XLogP2.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-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-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 70727854) is 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(Cc2cccc(F)c2F)C1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is WESLYWJCWAGNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-15-6-4-5-14(16(15)19)11-21-10-7-17(22,13-21)12-20-8-2-1-3-9-20/h4-6,22H,1-3,7-13H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 310.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70727854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).