(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol

C13H25NO — CID 59130993

IUPAC(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C)C1(O)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-10-8-14-9-11(2)13(10,15)12-6-4-3-5-7-12/h10-12,14-15H,3-9H2,1-2H3/t10-,11+,13?
InChIKeyZMSWCCRHGOLLNU-QYJAPNMZSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds1

About (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol

(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol (PubChem CID 59130993) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
PubChem CID59130993
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C)C1(O)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-10-8-14-9-11(2)13(10,15)12-6-4-3-5-7-12/h10-12,14-15H,3-9H2,1-2H3/t10-,11+,13?
InChIKeyZMSWCCRHGOLLNU-QYJAPNMZSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
The IUPAC name of (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol (CID 59130993) is (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol is C[C@@H]1CNC[C@H](C)C1(O)C1CCCCC1.
What is the InChIKey of (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
The InChIKey is ZMSWCCRHGOLLNU-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-8-14-9-11(2)13(10,15)12-6-4-3-5-7-12/h10-12,14-15H,3-9H2,1-2H3/t10-,11+,13?.
What are the key properties of (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 59130993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).