2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine

C14H21BrN2 — CID 116926572

IUPAC2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H21BrN2/c15-14-3-1-12(2-4-14)11-13-5-8-17(9-6-13)10-7-16/h1-4,13H,5-11,16H2
InChIKeyPGKBWOHBTPTGTA-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine

2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine (PubChem CID 116926572) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
PubChem CID116926572
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
SMILESNCCN1CCC(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H21BrN2/c15-14-3-1-12(2-4-14)11-13-5-8-17(9-6-13)10-7-16/h1-4,13H,5-11,16H2
InChIKeyPGKBWOHBTPTGTA-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
CID 116926581
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
4-[(4-bromophenyl)methyl]-1-methylsulfanylpiperidine
CID 166656776
4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine
CID 20689417
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
CID 116962876
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
CID 116926592
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983268
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine (CID 116926572) is 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine is NCCN1CCC(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine?
The InChIKey is PGKBWOHBTPTGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-14-3-1-12(2-4-14)11-13-5-8-17(9-6-13)10-7-16/h1-4,13H,5-11,16H2.
What are the key properties of 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine?
2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine has a molecular weight of 297.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 116926572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).