1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine

C21H27ClN2O — CID 46068812

IUPAC1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine
SMILESCc1cc(OC(CCN2CCN(C)CC2)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O/c1-17-16-19(8-9-20(17)22)25-21(18-6-4-3-5-7-18)10-11-24-14-12-23(2)13-15-24/h3-9,16,21H,10-15H2,1-2H3
InChIKeySGLZTUFTXHKHNN-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.41
Rot. Bonds6

About 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine

1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine (PubChem CID 46068812) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine
PubChem CID46068812
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine
SMILESCc1cc(OC(CCN2CCN(C)CC2)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O/c1-17-16-19(8-9-20(17)22)25-21(18-6-4-3-5-7-18)10-11-24-14-12-23(2)13-15-24/h3-9,16,21H,10-15H2,1-2H3
InChIKeySGLZTUFTXHKHNN-UHFFFAOYSA-N
XLogP4.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine 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-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine (CID 46068812) is 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine is Cc1cc(OC(CCN2CCN(C)CC2)c2ccccc2)ccc1Cl.
What is the InChIKey of 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine?
The InChIKey is SGLZTUFTXHKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O/c1-17-16-19(8-9-20(17)22)25-21(18-6-4-3-5-7-18)10-11-24-14-12-23(2)13-15-24/h3-9,16,21H,10-15H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine?
1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine has a molecular weight of 358.91 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine is sourced from PubChem (CID 46068812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).