1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine

C17H27BrN2 — CID 62619615

IUPAC1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCN(CCC(N)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H27BrN2/c1-2-3-14-8-11-20(12-9-14)13-10-17(19)15-4-6-16(18)7-5-15/h4-7,14,17H,2-3,8-13,19H2,1H3
InChIKeySPAFNJYKQJJXGH-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds6

About 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine

1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine (PubChem CID 62619615) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
PubChem CID62619615
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCN(CCC(N)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H27BrN2/c1-2-3-14-8-11-20(12-9-14)13-10-17(19)15-4-6-16(18)7-5-15/h4-7,14,17H,2-3,8-13,19H2,1H3
InChIKeySPAFNJYKQJJXGH-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
CID 62619458
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745806
1-(3,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200555
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine (CID 62619615) is 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine is CCCC1CCN(CCC(N)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is SPAFNJYKQJJXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-2-3-14-8-11-20(12-9-14)13-10-17(19)15-4-6-16(18)7-5-15/h4-7,14,17H,2-3,8-13,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine?
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62619615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).