1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine

C16H25BrN2 — CID 62932000

IUPAC1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
SMILESCC1(C)CCN(CCC(N)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-16(2)8-11-19(12-9-16)10-7-15(18)13-3-5-14(17)6-4-13/h3-6,15H,7-12,18H2,1-2H3
InChIKeyQBQLIXUIQKYUJU-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine

1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine (PubChem CID 62932000) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
PubChem CID62932000
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
SMILESCC1(C)CCN(CCC(N)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-16(2)8-11-19(12-9-16)10-7-15(18)13-3-5-14(17)6-4-13/h3-6,15H,7-12,18H2,1-2H3
InChIKeyQBQLIXUIQKYUJU-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745806
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59998812
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 11213585
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine (CID 62932000) is 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine is CC1(C)CCN(CCC(N)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is QBQLIXUIQKYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-16(2)8-11-19(12-9-16)10-7-15(18)13-3-5-14(17)6-4-13/h3-6,15H,7-12,18H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62932000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).