1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine

C16H26ClN3 — CID 60924589

IUPAC1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-3-16(14-5-4-6-15(17)13-14)18-7-8-20-11-9-19(2)10-12-20/h4-6,13,16,18H,3,7-12H2,1-2H3
InChIKeyFWSVRLPODUCBSK-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.63
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 60924589) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID60924589
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-3-16(14-5-4-6-15(17)13-14)18-7-8-20-11-9-19(2)10-12-20/h4-6,13,16,18H,3,7-12H2,1-2H3
InChIKeyFWSVRLPODUCBSK-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine
CID 83009566
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
CID 43551886
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine (CID 60924589) is 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine is CCC(NCCN1CCN(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is FWSVRLPODUCBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-16(14-5-4-6-15(17)13-14)18-7-8-20-11-9-19(2)10-12-20/h4-6,13,16,18H,3,7-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 60924589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).