[1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol

C14H21ClN2O — CID 118165241

IUPAC[1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol
SMILESOCC1CNCCN1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c15-13-5-3-12(4-6-13)2-1-8-17-9-7-16-10-14(17)11-18/h3-6,14,16,18H,1-2,7-11H2
InChIKeyJBYSHFOCOBGIBJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.54
Rot. Bonds5

About [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol

[1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol (PubChem CID 118165241) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol
PubChem CID118165241
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol
SMILESOCC1CNCCN1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c15-13-5-3-12(4-6-13)2-1-8-17-9-7-16-10-14(17)11-18/h3-6,14,16,18H,1-2,7-11H2
InChIKeyJBYSHFOCOBGIBJ-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol?
The IUPAC name of [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol (CID 118165241) is [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol?
The canonical SMILES for [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol is OCC1CNCCN1CCCc1ccc(Cl)cc1.
What is the InChIKey of [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol?
The InChIKey is JBYSHFOCOBGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-13-5-3-12(4-6-13)2-1-8-17-9-7-16-10-14(17)11-18/h3-6,14,16,18H,1-2,7-11H2.
What are the key properties of [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol?
[1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol has a molecular weight of 268.79 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chlorophenyl)propyl]piperazin-2-yl]methanol is sourced from PubChem (CID 118165241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).