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

C16H24ClN3 — CID 60866133

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
SMILESCC(N)(CN1CCN(c2cccc(Cl)c2)CC1)C1CC1
InChIInChI=1S/C16H24ClN3/c1-16(18,13-5-6-13)12-19-7-9-20(10-8-19)15-4-2-3-14(17)11-15/h2-4,11,13H,5-10,12,18H2,1H3
InChIKeyAEIJCGIMXJSMPZ-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.59
Rot. Bonds4

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

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine (PubChem CID 60866133) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
PubChem CID60866133
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
SMILESCC(N)(CN1CCN(c2cccc(Cl)c2)CC1)C1CC1
InChIInChI=1S/C16H24ClN3/c1-16(18,13-5-6-13)12-19-7-9-20(10-8-19)15-4-2-3-14(17)11-15/h2-4,11,13H,5-10,12,18H2,1H3
InChIKeyAEIJCGIMXJSMPZ-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
4-[4-(3-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453182
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
4-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanethioamide
CID 65247125
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine (CID 60866133) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine is CC(N)(CN1CCN(c2cccc(Cl)c2)CC1)C1CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine?
The InChIKey is AEIJCGIMXJSMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-16(18,13-5-6-13)12-19-7-9-20(10-8-19)15-4-2-3-14(17)11-15/h2-4,11,13H,5-10,12,18H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine has a molecular weight of 293.84 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 60866133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).