4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine

C17H28ClN3 — CID 60849420

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H28ClN3/c1-15(2)19-9-3-4-10-20-11-13-21(14-12-20)17-7-5-16(18)6-8-17/h5-8,15,19H,3-4,9-14H2,1-2H3
InChIKeyGOSWSTLSBFUILJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.24
Rot. Bonds7

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine (PubChem CID 60849420) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
PubChem CID60849420
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H28ClN3/c1-15(2)19-9-3-4-10-20-11-13-21(14-12-20)17-7-5-16(18)6-8-17/h5-8,15,19H,3-4,9-14H2,1-2H3
InChIKeyGOSWSTLSBFUILJ-UHFFFAOYSA-N
XLogP3.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
CID 62573775
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
CID 62574147
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride
CID 22765924
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine
CID 62574146

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine (CID 60849420) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine is CC(C)NCCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
The InChIKey is GOSWSTLSBFUILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-15(2)19-9-3-4-10-20-11-13-21(14-12-20)17-7-5-16(18)6-8-17/h5-8,15,19H,3-4,9-14H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 60849420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).