(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine

C14H20BrN — CID 95356235

IUPAC(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
SMILESCC[C@H]1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11H2,1H3/t14-/m0/s1
InChIKeyHVROXDWTZAILQJ-AWEZNQCLSA-N
MW282.22 g/mol
LogP4.21
Rot. Bonds3

About (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine

(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine (PubChem CID 95356235) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine.

Molecular Properties

Compound Name(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
PubChem CID95356235
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
SMILESCC[C@H]1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11H2,1H3/t14-/m0/s1
InChIKeyHVROXDWTZAILQJ-AWEZNQCLSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191673

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine?
The IUPAC name of (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine (CID 95356235) is (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine.
What is the SMILES notation for (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine?
The canonical SMILES for (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine is CC[C@H]1CCCCN1Cc1ccc(Br)cc1.
What is the InChIKey of (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine?
The InChIKey is HVROXDWTZAILQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine?
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine has a molecular weight of 282.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine is sourced from PubChem (CID 95356235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).