3-methyl-1,2-di(propan-2-yl)piperidin-3-ol

C12H25NO — CID 171756100

IUPAC3-methyl-1,2-di(propan-2-yl)piperidin-3-ol
SMILESCC(C)C1N(C(C)C)CCCC1(C)O
InChIInChI=1S/C12H25NO/c1-9(2)11-12(5,14)7-6-8-13(11)10(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyUBEGTTPYIZSVEM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol

3-methyl-1,2-di(propan-2-yl)piperidin-3-ol (PubChem CID 171756100) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1,2-di(propan-2-yl)piperidin-3-ol
PubChem CID171756100
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-1,2-di(propan-2-yl)piperidin-3-ol
SMILESCC(C)C1N(C(C)C)CCCC1(C)O
InChIInChI=1S/C12H25NO/c1-9(2)11-12(5,14)7-6-8-13(11)10(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyUBEGTTPYIZSVEM-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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CID 158874958
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
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1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
CID 175613591
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
1-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]cyclohexan-1-ol
CID 115073810
1,2-di(propan-2-yl)azocane
CID 134605032
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
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1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol?
The IUPAC name of 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol (CID 171756100) is 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol.
What is the SMILES notation for 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol?
The canonical SMILES for 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol is CC(C)C1N(C(C)C)CCCC1(C)O.
What is the InChIKey of 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol?
The InChIKey is UBEGTTPYIZSVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11-12(5,14)7-6-8-13(11)10(3)4/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol?
3-methyl-1,2-di(propan-2-yl)piperidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-di(propan-2-yl)piperidin-3-ol is sourced from PubChem (CID 171756100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).