1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol

C12H25NO — CID 131113951

IUPAC1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
SMILESCC(C)C(C)C1(O)CCN(C)C(C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(4)12(14)6-7-13(5)10(3)8-12/h9-11,14H,6-8H2,1-5H3
InChIKeyDZRZPSXJOQHKET-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.12
Rot. Bonds2

About 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol

1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol (PubChem CID 131113951) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
PubChem CID131113951
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
SMILESCC(C)C(C)C1(O)CCN(C)C(C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(4)12(14)6-7-13(5)10(3)8-12/h9-11,14H,6-8H2,1-5H3
InChIKeyDZRZPSXJOQHKET-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
CID 126999258
4-[1-(aminomethyl)cyclopropyl]-1,2-dimethylpiperidin-4-ol
CID 130513405
4,4-diethoxy-1,2-dimethylpiperidine
CID 45093899
4-amino-1,2-dimethylpiperidine-4-carboxamide
CID 79003697
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol
CID 130640761
1,5-dimethyl-3-prop-1-en-2-ylpyrrolidin-3-ol
CID 81467421
1,4,5,5,7-pentamethyl-1,4-diazepane
CID 139454004
(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol
CID 7032041
4-ethenyl-4-ethyl-1,2-dimethylpiperidine
CID 167284042
1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol
CID 112709137
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
The IUPAC name of 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol (CID 131113951) is 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol.
What is the SMILES notation for 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
The canonical SMILES for 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol is CC(C)C(C)C1(O)CCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
The InChIKey is DZRZPSXJOQHKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(4)12(14)6-7-13(5)10(3)8-12/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol is sourced from PubChem (CID 131113951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).