5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride

C16H23ClF2N2O — CID 120855129

IUPAC5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CC(c2ccc(F)c(F)c2)N(CC2CCNCC2)C1
InChIInChI=1S/C16H22F2N2O.ClH/c17-14-2-1-12(7-15(14)18)16-8-13(21)10-20(16)9-11-3-5-19-6-4-11;/h1-2,7,11,13,16,19,21H,3-6,8-10H2;1H
InChIKeyZDIDUSWILAJQAZ-UHFFFAOYSA-N
MW332.82 g/mol
LogP2.49
Rot. Bonds3

About 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride

5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 120855129) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID120855129
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC Name5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CC(c2ccc(F)c(F)c2)N(CC2CCNCC2)C1
InChIInChI=1S/C16H22F2N2O.ClH/c17-14-2-1-12(7-15(14)18)16-8-13(21)10-20(16)9-11-3-5-19-6-4-11;/h1-2,7,11,13,16,19,21H,3-6,8-10H2;1H
InChIKeyZDIDUSWILAJQAZ-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride 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 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride (CID 120855129) is 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1CC(c2ccc(F)c(F)c2)N(CC2CCNCC2)C1.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is ZDIDUSWILAJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c17-14-2-1-12(7-15(14)18)16-8-13(21)10-20(16)9-11-3-5-19-6-4-11;/h1-2,7,11,13,16,19,21H,3-6,8-10H2;1H.
What are the key properties of 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride?
5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120855129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).