[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride

C11H15Cl2NO — CID 46736993

IUPAC[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-8(2-4-10)11-6-13-5-9(11)7-14;/h1-4,9,11,13-14H,5-7H2;1H/t9-,11-;/m0./s1
InChIKeyMAQCKMCMVDAXMR-ROLPUNSJSA-N
MW248.15 g/mol
LogP2.06
Rot. Bonds2

About [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride

[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 46736993) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID46736993
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-8(2-4-10)11-6-13-5-9(11)7-14;/h1-4,9,11,13-14H,5-7H2;1H/t9-,11-;/m0./s1
InChIKeyMAQCKMCMVDAXMR-ROLPUNSJSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;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 [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride (CID 46736993) is [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride is Cl.OC[C@@H]1CNC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is MAQCKMCMVDAXMR-ROLPUNSJSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-10-3-1-8(2-4-10)11-6-13-5-9(11)7-14;/h1-4,9,11,13-14H,5-7H2;1H/t9-,11-;/m0./s1.
What are the key properties of [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 46736993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).