1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

C16H25ClN2 — CID 64937944

IUPAC1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)c2cccc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25ClN2/c1-11(2)16-9-18-12(3)10-19(16)13(4)14-6-5-7-15(17)8-14/h5-8,11-13,16,18H,9-10H2,1-4H3
InChIKeyAHBNZQBAHVYANP-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64937944) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64937944
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)c2cccc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25ClN2/c1-11(2)16-9-18-12(3)10-19(16)13(4)14-6-5-7-15(17)8-14/h5-8,11-13,16,18H,9-10H2,1-4H3
InChIKeyAHBNZQBAHVYANP-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine 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-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937506
1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 64946271
1-[1-(3-chlorophenyl)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678205
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
CID 64945691
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979644
1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
CID 114420424
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 107370881
1-[1-(3-chlorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65071836
5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (CID 64937944) is 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is CC1CN(C(C)c2cccc(Cl)c2)C(C(C)C)CN1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is AHBNZQBAHVYANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11(2)16-9-18-12(3)10-19(16)13(4)14-6-5-7-15(17)8-14/h5-8,11-13,16,18H,9-10H2,1-4H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).