1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol

C13H27NO — CID 114447622

IUPAC1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCCC1CCCN(CC(C)(O)C(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-12-7-6-8-14(9-12)10-13(4,15)11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyHSWKBCHZYNBZBG-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.52
Rot. Bonds4

About 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol

1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114447622) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID114447622
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCCC1CCCN(CC(C)(O)C(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-12-7-6-8-14(9-12)10-13(4,15)11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyHSWKBCHZYNBZBG-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
CID 134317869
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
N-ethyl-4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66455139
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol (CID 114447622) is 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol is CCC1CCCN(CC(C)(O)C(C)C)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is HSWKBCHZYNBZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-12-7-6-8-14(9-12)10-13(4,15)11(2)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol?
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).