1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine

C17H28BrN3 — CID 62625582

IUPAC1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2ccccc2Br)CC1
InChIInChI=1S/C17H28BrN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3
InChIKeyUWKZPFJXLXUCHX-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.26
Rot. Bonds4

About 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine

1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine (PubChem CID 62625582) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
PubChem CID62625582
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2ccccc2Br)CC1
InChIInChI=1S/C17H28BrN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3
InChIKeyUWKZPFJXLXUCHX-UHFFFAOYSA-N
XLogP3.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine (CID 62625582) is 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine is CC(C)(C)N1CCN(CCC(N)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
The InChIKey is UWKZPFJXLXUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62625582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).