3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol

C11H23NO — CID 83983052

IUPAC3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
SMILESCCN1CCC(CC(C)CO)CC1
InChIInChI=1S/C11H23NO/c1-3-12-6-4-11(5-7-12)8-10(2)9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyJTYUHCLNWALVBH-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds4

About 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol

3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol (PubChem CID 83983052) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
PubChem CID83983052
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
SMILESCCN1CCC(CC(C)CO)CC1
InChIInChI=1S/C11H23NO/c1-3-12-6-4-11(5-7-12)8-10(2)9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyJTYUHCLNWALVBH-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
2-methyl-3-(1-propylpyrrolidin-3-yl)propan-1-ol
CID 83981032
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol
CID 117266002
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
CID 83983047
1,4-diethylpiperidine;ethane
CID 143709904
3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 106158702
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]propan-2-amine
CID 115717000
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol (CID 83983052) is 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol is CCN1CCC(CC(C)CO)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol?
The InChIKey is JTYUHCLNWALVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-12-6-4-11(5-7-12)8-10(2)9-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol?
3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 83983052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).