3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine

C16H33N — CID 134317869

IUPAC3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
SMILESCCC1CCCN(CC(C)(C)C(C)C(C)C)C1
InChIInChI=1S/C16H33N/c1-7-15-9-8-10-17(11-15)12-16(5,6)14(4)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyPYBUKWSANFMYND-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.43
Rot. Bonds5

About 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine

3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine (PubChem CID 134317869) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine.

Molecular Properties

Compound Name3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
PubChem CID134317869
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
SMILESCCC1CCCN(CC(C)(C)C(C)C(C)C)C1
InChIInChI=1S/C16H33N/c1-7-15-9-8-10-17(11-15)12-16(5,6)14(4)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyPYBUKWSANFMYND-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
N-ethyl-4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66455139
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
N-ethyl-3-(3-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62257877
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine?
The IUPAC name of 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine (CID 134317869) is 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine.
What is the SMILES notation for 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine?
The canonical SMILES for 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine is CCC1CCCN(CC(C)(C)C(C)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine?
The InChIKey is PYBUKWSANFMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-15-9-8-10-17(11-15)12-16(5,6)14(4)13(2)3/h13-15H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine?
3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine is sourced from PubChem (CID 134317869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).