[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H16ClNO — CID 3662908

IUPAC[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(14)9-15/h3-6,12,15H,1-2,7-9H2
InChIKeyFPVOWHGMYGCDHV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 3662908) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID3662908
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(14)9-15/h3-6,12,15H,1-2,7-9H2
InChIKeyFPVOWHGMYGCDHV-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 3662908) is [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FPVOWHGMYGCDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(14)9-15/h3-6,12,15H,1-2,7-9H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 3662908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).