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

C15H23BrN2 — CID 55220031

IUPACN-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-2-17-11-15-5-3-4-10-18(15)12-13-6-8-14(16)9-7-13/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeyDTNYYDVWPVWAGY-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds5

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

N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 55220031) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
PubChem CID55220031
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-2-17-11-15-5-3-4-10-18(15)12-13-6-8-14(16)9-7-13/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeyDTNYYDVWPVWAGY-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580393
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 82867061

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine (CID 55220031) is N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1Cc1ccc(Br)cc1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is DTNYYDVWPVWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-17-11-15-5-3-4-10-18(15)12-13-6-8-14(16)9-7-13/h6-9,15,17H,2-5,10-12H2,1H3.
What are the key properties of N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 55220031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).