[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol

C15H29NO — CID 129493314

IUPAC[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol
SMILESC[C@H]1C[C@@H](N2CCC(CO)CC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-12-8-14(10-15(2,3)9-12)16-6-4-13(11-17)5-7-16/h12-14,17H,4-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyHQFKFGRZXLJOML-GXTWGEPZSA-N
MW239.40 g/mol
LogP2.91
Rot. Bonds2

About [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol

[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol (PubChem CID 129493314) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol
PubChem CID129493314
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol
SMILESC[C@H]1C[C@@H](N2CCC(CO)CC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-12-8-14(10-15(2,3)9-12)16-6-4-13(11-17)5-7-16/h12-14,17H,4-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyHQFKFGRZXLJOML-GXTWGEPZSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol (CID 129493314) is [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol is C[C@H]1C[C@@H](N2CCC(CO)CC2)CC(C)(C)C1.
What is the InChIKey of [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol?
The InChIKey is HQFKFGRZXLJOML-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-8-14(10-15(2,3)9-12)16-6-4-13(11-17)5-7-16/h12-14,17H,4-11H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol?
[1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol has a molecular weight of 239.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,5R)-3,3,5-trimethylcyclohexyl]piperidin-4-yl]methanol is sourced from PubChem (CID 129493314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).