2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine

C14H22ClN3 — CID 55069987

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
SMILESCNCC(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-12(11-16-2)17-6-8-18(9-7-17)14-5-3-4-13(15)10-14/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyPLOPTZWJNDMFFM-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.07
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine (PubChem CID 55069987) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
PubChem CID55069987
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
SMILESCNCC(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-12(11-16-2)17-6-8-18(9-7-17)14-5-3-4-13(15)10-14/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyPLOPTZWJNDMFFM-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(1-nitropropan-2-yl)piperazine
CID 134119458
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol
CID 83971882
4-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111186741
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
4-[4-(3-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453182
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine (CID 55069987) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine is CNCC(C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine?
The InChIKey is PLOPTZWJNDMFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-12(11-16-2)17-6-8-18(9-7-17)14-5-3-4-13(15)10-14/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 55069987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).