3-[2-(2-ethylphenyl)hexyl]piperidine

C19H31N — CID 173195179

IUPAC3-[2-(2-ethylphenyl)hexyl]piperidine
SMILESCCCCC(CC1CCCNC1)c1ccccc1CC
InChIInChI=1S/C19H31N/c1-3-5-10-18(14-16-9-8-13-20-15-16)19-12-7-6-11-17(19)4-2/h6-7,11-12,16,18,20H,3-5,8-10,13-15H2,1-2H3
InChIKeyCLVKTHWEUALZCJ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds7

About 3-[2-(2-ethylphenyl)hexyl]piperidine

3-[2-(2-ethylphenyl)hexyl]piperidine (PubChem CID 173195179) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-[2-(2-ethylphenyl)hexyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-ethylphenyl)hexyl]piperidine
PubChem CID173195179
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-[2-(2-ethylphenyl)hexyl]piperidine
SMILESCCCCC(CC1CCCNC1)c1ccccc1CC
InChIInChI=1S/C19H31N/c1-3-5-10-18(14-16-9-8-13-20-15-16)19-12-7-6-11-17(19)4-2/h6-7,11-12,16,18,20H,3-5,8-10,13-15H2,1-2H3
InChIKeyCLVKTHWEUALZCJ-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(2-methylhexyl)piperidine
CID 155456169
3-(2-ethylhexyl)azepane
CID 104680647
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-butylpiperidine;ethane;ethoxybenzene
CID 159556445
3-(2-fluoropentyl)piperidine
CID 105435660
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
[2-cyclobutyl-1-(2-ethylphenyl)ethyl]hydrazine
CID 105310171
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylphenyl)hexyl]piperidine?
The IUPAC name of 3-[2-(2-ethylphenyl)hexyl]piperidine (CID 173195179) is 3-[2-(2-ethylphenyl)hexyl]piperidine.
What is the SMILES notation for 3-[2-(2-ethylphenyl)hexyl]piperidine?
The canonical SMILES for 3-[2-(2-ethylphenyl)hexyl]piperidine is CCCCC(CC1CCCNC1)c1ccccc1CC.
What is the InChIKey of 3-[2-(2-ethylphenyl)hexyl]piperidine?
The InChIKey is CLVKTHWEUALZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-10-18(14-16-9-8-13-20-15-16)19-12-7-6-11-17(19)4-2/h6-7,11-12,16,18,20H,3-5,8-10,13-15H2,1-2H3.
What are the key properties of 3-[2-(2-ethylphenyl)hexyl]piperidine?
3-[2-(2-ethylphenyl)hexyl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylphenyl)hexyl]piperidine is sourced from PubChem (CID 173195179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).