4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol

C12H23NO2 — CID 90447702

IUPAC4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol
SMILESCC1(O)CCC(C2(O)CCNCC2)CC1
InChIInChI=1S/C12H23NO2/c1-11(14)4-2-10(3-5-11)12(15)6-8-13-9-7-12/h10,13-15H,2-9H2,1H3
InChIKeyFJURHQXDDRFBDT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds1

About 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol

4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol (PubChem CID 90447702) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol
PubChem CID90447702
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol
SMILESCC1(O)CCC(C2(O)CCNCC2)CC1
InChIInChI=1S/C12H23NO2/c1-11(14)4-2-10(3-5-11)12(15)6-8-13-9-7-12/h10,13-15H,2-9H2,1H3
InChIKeyFJURHQXDDRFBDT-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol?
The IUPAC name of 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol (CID 90447702) is 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol?
The canonical SMILES for 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol is CC1(O)CCC(C2(O)CCNCC2)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol?
The InChIKey is FJURHQXDDRFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(14)4-2-10(3-5-11)12(15)6-8-13-9-7-12/h10,13-15H,2-9H2,1H3.
What are the key properties of 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol?
4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylcyclohexyl)piperidin-4-ol is sourced from PubChem (CID 90447702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).