1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine

C15H23BrN2 — CID 63785603

IUPAC1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C15H23BrN2/c1-2-14(17)10-12-6-7-13(16)11-15(12)18-8-4-3-5-9-18/h6-7,11,14H,2-5,8-10,17H2,1H3
InChIKeyJOXRLRNMLUBQTP-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine

1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine (PubChem CID 63785603) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
PubChem CID63785603
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C15H23BrN2/c1-2-14(17)10-12-6-7-13(16)11-15(12)18-8-4-3-5-9-18/h6-7,11,14H,2-5,8-10,17H2,1H3
InChIKeyJOXRLRNMLUBQTP-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]butan-2-amine
CID 63787411
1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
CID 103503911
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[2-(4-benzylpiperazin-1-yl)-4-bromophenyl]butan-2-amine
CID 113233595
1-[4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]butan-2-amine
CID 107459852
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63795722
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
CID 82972487
1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine?
The IUPAC name of 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine (CID 63785603) is 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine is CCC(N)Cc1ccc(Br)cc1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine?
The InChIKey is JOXRLRNMLUBQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-14(17)10-12-6-7-13(16)11-15(12)18-8-4-3-5-9-18/h6-7,11,14H,2-5,8-10,17H2,1H3.
What are the key properties of 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine?
1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine is sourced from PubChem (CID 63785603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).