3-butyl-5-ethylpiperidine

C11H23N — CID 177138974

IUPAC3-butyl-5-ethylpiperidine
SMILESCCCCC1CNCC(CC)C1
InChIInChI=1S/C11H23N/c1-3-5-6-11-7-10(4-2)8-12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyUOWHAFDTNGBTGS-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds4

About 3-butyl-5-ethylpiperidine

3-butyl-5-ethylpiperidine (PubChem CID 177138974) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-butyl-5-ethylpiperidine.

Molecular Properties

Compound Name3-butyl-5-ethylpiperidine
PubChem CID177138974
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-butyl-5-ethylpiperidine
SMILESCCCCC1CNCC(CC)C1
InChIInChI=1S/C11H23N/c1-3-5-6-11-7-10(4-2)8-12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyUOWHAFDTNGBTGS-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butylazetidine
CID 20827268
3-hexylazetidine
CID 79452100
1-butyl-3,5-dipropylcyclohexane
CID 145132341
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-(bromomethyl)-3-butylcyclobutane
CID 86245492
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
(3S)-3-pentylpyrrolidine
CID 10261191
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
6-heptyl-1,4-oxazepane
CID 155363719
(3S)-3-heptylpiperidine
CID 155456188
N-[2-(azetidin-3-yl)ethyl]-N-methylpentan-1-amine
CID 116679385

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-ethylpiperidine?
The IUPAC name of 3-butyl-5-ethylpiperidine (CID 177138974) is 3-butyl-5-ethylpiperidine.
What is the SMILES notation for 3-butyl-5-ethylpiperidine?
The canonical SMILES for 3-butyl-5-ethylpiperidine is CCCCC1CNCC(CC)C1.
What is the InChIKey of 3-butyl-5-ethylpiperidine?
The InChIKey is UOWHAFDTNGBTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-5-6-11-7-10(4-2)8-12-9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-butyl-5-ethylpiperidine?
3-butyl-5-ethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-ethylpiperidine is sourced from PubChem (CID 177138974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).