[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

C15H23BrN2 — CID 103351813

IUPAC[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2ccc(Br)cc2)C(CN)C1
InChIInChI=1S/C15H23BrN2/c1-2-12-7-8-18(15(9-12)10-17)11-13-3-5-14(16)6-4-13/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyXIHPFUFBTVKFIU-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.40
Rot. Bonds4

About [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351813) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351813
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2ccc(Br)cc2)C(CN)C1
InChIInChI=1S/C15H23BrN2/c1-2-12-7-8-18(15(9-12)10-17)11-13-3-5-14(16)6-4-13/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyXIHPFUFBTVKFIU-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
CID 103351651
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353142
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353134
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353345
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-3-methylbenzonitrile
CID 103353274

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (CID 103351813) is [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(Cc2ccc(Br)cc2)C(CN)C1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is XIHPFUFBTVKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-12-7-8-18(15(9-12)10-17)11-13-3-5-14(16)6-4-13/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 311.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).