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

C12H25NO — CID 130698560

IUPAC3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
SMILESCC(C)C(C)C1(O)CCNCC1(C)C
InChIInChI=1S/C12H25NO/c1-9(2)10(3)12(14)6-7-13-8-11(12,4)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeySFUTYZUVYQXXBG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.03
Rot. Bonds2

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

3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol (PubChem CID 130698560) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
PubChem CID130698560
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol
SMILESCC(C)C(C)C1(O)CCNCC1(C)C
InChIInChI=1S/C12H25NO/c1-9(2)10(3)12(14)6-7-13-8-11(12,4)5/h9-10,13-14H,6-8H2,1-5H3
InChIKeySFUTYZUVYQXXBG-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
The IUPAC name of 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol (CID 130698560) is 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol is CC(C)C(C)C1(O)CCNCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
The InChIKey is SFUTYZUVYQXXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10(3)12(14)6-7-13-8-11(12,4)5/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol?
3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-methylbutan-2-yl)piperidin-4-ol is sourced from PubChem (CID 130698560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).