1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine

C17H28ClN3 — CID 62774780

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccc(Cl)cc2)C(C)N)CC1
InChIInChI=1S/C17H28ClN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-5-7-16(18)8-6-15/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyIAFNGYHSKRIMJJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine

1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine (PubChem CID 62774780) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
PubChem CID62774780
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccc(Cl)cc2)C(C)N)CC1
InChIInChI=1S/C17H28ClN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-5-7-16(18)8-6-15/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyIAFNGYHSKRIMJJ-UHFFFAOYSA-N
XLogP3.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 62774582
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55015329
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 62773806
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
CID 62773231
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624404
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
1-(4-chlorophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79182425

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine (CID 62774780) is 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine is CCC(C)N1CCN(C(c2ccc(Cl)cc2)C(C)N)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine?
The InChIKey is IAFNGYHSKRIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-5-7-16(18)8-6-15/h5-8,13-14,17H,4,9-12,19H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 62774780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).