3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol

C11H23NO — CID 115872983

IUPAC3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-10(9-13)8-12-6-4-11(2,3)5-7-12/h10,13H,4-9H2,1-3H3
InChIKeyODLRFUFQZQUOLY-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds3

About 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol

3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol (PubChem CID 115872983) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
PubChem CID115872983
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-10(9-13)8-12-6-4-11(2,3)5-7-12/h10,13H,4-9H2,1-3H3
InChIKeyODLRFUFQZQUOLY-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872959
1-(3-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carbothioamide
CID 107161484
3-(4,4-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62931692
3-(5-azaspiro[2.3]hexan-5-yl)-2-methylpropan-1-ol
CID 104549778
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine
CID 62932695
7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
CID 65296260
2-(4,4-dimethylpiperidin-1-yl)-1-(1-methylpiperidin-4-yl)ethanol
CID 76828432
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol (CID 115872983) is 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol is CC(CO)CN1CCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol?
The InChIKey is ODLRFUFQZQUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(9-13)8-12-6-4-11(2,3)5-7-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol?
3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 115872983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).