1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine

C16H25BrN2 — CID 55015972

IUPAC1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCCCC1C
InChIInChI=1S/C16H25BrN2/c1-3-15(18)16(13-7-9-14(17)10-8-13)19-11-5-4-6-12(19)2/h7-10,12,15-16H,3-6,11,18H2,1-2H3
InChIKeyPMDIPCJLZQBLPF-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine

1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine (PubChem CID 55015972) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
PubChem CID55015972
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCCCC1C
InChIInChI=1S/C16H25BrN2/c1-3-15(18)16(13-7-9-14(17)10-8-13)19-11-5-4-6-12(19)2/h7-10,12,15-16H,3-6,11,18H2,1-2H3
InChIKeyPMDIPCJLZQBLPF-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
CID 55016025
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-bromophenyl)propan-2-amine
CID 63406015
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidine-3,4-diol
CID 106667890
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 55019169
1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine
CID 62329945
1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 104689043
1-[2-amino-1-(4-bromophenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451292
1-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine
CID 55016533
1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 55019336
[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932098

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine (CID 55015972) is 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine is CCC(N)C(c1ccc(Br)cc1)N1CCCCC1C.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine?
The InChIKey is PMDIPCJLZQBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-15(18)16(13-7-9-14(17)10-8-13)19-11-5-4-6-12(19)2/h7-10,12,15-16H,3-6,11,18H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine?
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine has a molecular weight of 325.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 55015972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).