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

C12H25NO — CID 62271835

IUPAC3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCCC1CCCCN1CC(C)(C)CO
InChIInChI=1S/C12H25NO/c1-4-11-7-5-6-8-13(11)9-12(2,3)10-14/h11,14H,4-10H2,1-3H3
InChIKeyLBHFOWGUNZNCTN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

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

3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 62271835) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID62271835
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCCC1CCCCN1CC(C)(C)CO
InChIInChI=1S/C12H25NO/c1-4-11-7-5-6-8-13(11)9-12(2,3)10-14/h11,14H,4-10H2,1-3H3
InChIKeyLBHFOWGUNZNCTN-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64797230
2-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)-2-methylpropan-1-ol
CID 64790954
N-tert-butyl-3-(2-ethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62278344
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
CID 64795703
1,2-diethylpiperidine
CID 19604037
2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
CID 104692736

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol (CID 62271835) is 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol is CCC1CCCCN1CC(C)(C)CO.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is LBHFOWGUNZNCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11-7-5-6-8-13(11)9-12(2,3)10-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62271835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).