(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine

C13H19ClN2O — CID 168510109

IUPAC(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1cc(CN2CCN[C@H](C)C2)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10-8-16(6-5-15-10)9-11-3-4-12(14)13(7-11)17-2/h3-4,7,10,15H,5-6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyMMSQHOBJJJBVBM-SNVBAGLBSA-N
MW254.76 g/mol
LogP2.14
Rot. Bonds3

About (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine

(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 168510109) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID168510109
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1cc(CN2CCN[C@H](C)C2)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10-8-16(6-5-15-10)9-11-3-4-12(14)13(7-11)17-2/h3-4,7,10,15H,5-6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyMMSQHOBJJJBVBM-SNVBAGLBSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937266
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperazine
CID 113335445
1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924418
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine (CID 168510109) is (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine is COc1cc(CN2CCN[C@H](C)C2)ccc1Cl.
What is the InChIKey of (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is MMSQHOBJJJBVBM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-8-16(6-5-15-10)9-11-3-4-12(14)13(7-11)17-2/h3-4,7,10,15H,5-6,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine?
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 254.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 168510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).