4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine

C15H31N — CID 142407785

IUPAC4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine
SMILESCCC1CCN(C(C)(C)C(C)(C)CC)CC1
InChIInChI=1S/C15H31N/c1-7-13-9-11-16(12-10-13)15(5,6)14(3,4)8-2/h13H,7-12H2,1-6H3
InChIKeyCBUMKLNOMQEQGE-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds4

About 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine

4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine (PubChem CID 142407785) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine
PubChem CID142407785
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine
SMILESCCC1CCN(C(C)(C)C(C)(C)CC)CC1
InChIInChI=1S/C15H31N/c1-7-13-9-11-16(12-10-13)15(5,6)14(3,4)8-2/h13H,7-12H2,1-6H3
InChIKeyCBUMKLNOMQEQGE-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoropropyl)-4-ethylpiperidine
CID 170404290
2-(4-ethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 61420944
3-(5-methylhexyl)-1-(2,3,3-trimethylpentan-2-yl)pyrrolidine
CID 123580140
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
1,4-diethylpiperidine;ethane
CID 143709904
(4S)-2-tert-butyl-5-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;methane;propane
CID 153398672
2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259874
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
azane;ethylcyclopropane
CID 20975579

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine?
The IUPAC name of 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine (CID 142407785) is 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine.
What is the SMILES notation for 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine?
The canonical SMILES for 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine is CCC1CCN(C(C)(C)C(C)(C)CC)CC1.
What is the InChIKey of 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine?
The InChIKey is CBUMKLNOMQEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-7-13-9-11-16(12-10-13)15(5,6)14(3,4)8-2/h13H,7-12H2,1-6H3.
What are the key properties of 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine?
4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,3,3-trimethylpentan-2-yl)piperidine is sourced from PubChem (CID 142407785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).