1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine

C16H23ClN2 — CID 64859758

IUPAC1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-16(2)11-18-15(13-6-7-13)10-19(16)9-12-4-3-5-14(17)8-12/h3-5,8,13,15,18H,6-7,9-11H2,1-2H3
InChIKeyZTBUAQKRFPKLTG-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.30
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine

1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (PubChem CID 64859758) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
PubChem CID64859758
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-16(2)11-18-15(13-6-7-13)10-19(16)9-12-4-3-5-14(17)8-12/h3-5,8,13,15,18H,6-7,9-11H2,1-2H3
InChIKeyZTBUAQKRFPKLTG-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine 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-[(4-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 107888690
1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848563
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64861491
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434
2-tert-butyl-1-[(3-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64861094
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (CID 64859758) is 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is CC1(C)CNC(C2CC2)CN1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The InChIKey is ZTBUAQKRFPKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-16(2)11-18-15(13-6-7-13)10-19(16)9-12-4-3-5-14(17)8-12/h3-5,8,13,15,18H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is sourced from PubChem (CID 64859758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).