1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine

C14H22ClN3 — CID 55019304

IUPAC1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C14H22ClN3/c1-11(16)14(12-4-3-5-13(15)10-12)18-8-6-17(2)7-9-18/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyFPHIWJOYLLVEHW-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.98
Rot. Bonds3

About 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine

1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 55019304) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID55019304
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C14H22ClN3/c1-11(16)14(12-4-3-5-13(15)10-12)18-8-6-17(2)7-9-18/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyFPHIWJOYLLVEHW-UHFFFAOYSA-N
XLogP1.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(3-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55019551
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
4-[2-amino-1-(3-chlorophenyl)propyl]-1,4-diazepan-2-one
CID 65361473
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83924566
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
CID 103494129
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 55019304) is 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine is CC(N)C(c1cccc(Cl)c1)N1CCN(C)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is FPHIWJOYLLVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11(16)14(12-4-3-5-13(15)10-12)18-8-6-17(2)7-9-18/h3-5,10-11,14H,6-9,16H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 55019304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).