1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

C17H27ClN2O2 — CID 2938396

IUPAC1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C17H27ClN2O2/c1-13(2)22-12-16(21)11-19-6-8-20(9-7-19)17-10-15(18)5-4-14(17)3/h4-5,10,13,16,21H,6-9,11-12H2,1-3H3
InChIKeyFOICDFLCFWTYPY-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 2938396) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID2938396
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C17H27ClN2O2/c1-13(2)22-12-16(21)11-19-6-8-20(9-7-19)17-10-15(18)5-4-14(17)3/h4-5,10,13,16,21H,6-9,11-12H2,1-3H3
InChIKeyFOICDFLCFWTYPY-UHFFFAOYSA-N
XLogP2.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-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-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 2938396) is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is Cc1ccc(Cl)cc1N1CCN(CC(O)COC(C)C)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is FOICDFLCFWTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-13(2)22-12-16(21)11-19-6-8-20(9-7-19)17-10-15(18)5-4-14(17)3/h4-5,10,13,16,21H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 326.87 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 2938396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).