1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol

C15H29NO — CID 58829021

IUPAC1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol
SMILESCC[C@H]1CC(CN2CCC(O)CC2)C[C@@H](C)C1
InChIInChI=1S/C15H29NO/c1-3-13-8-12(2)9-14(10-13)11-16-6-4-15(17)5-7-16/h12-15,17H,3-11H2,1-2H3/t12-,13+,14?/m0/s1
InChIKeyXMSKIZFNDOIYIN-WLDKUNSKSA-N
MW239.40 g/mol
LogP2.91
Rot. Bonds3

About 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol

1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol (PubChem CID 58829021) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol
PubChem CID58829021
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol
SMILESCC[C@H]1CC(CN2CCC(O)CC2)C[C@@H](C)C1
InChIInChI=1S/C15H29NO/c1-3-13-8-12(2)9-14(10-13)11-16-6-4-15(17)5-7-16/h12-15,17H,3-11H2,1-2H3/t12-,13+,14?/m0/s1
InChIKeyXMSKIZFNDOIYIN-WLDKUNSKSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol (CID 58829021) is 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol is CC[C@H]1CC(CN2CCC(O)CC2)C[C@@H](C)C1.
What is the InChIKey of 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol?
The InChIKey is XMSKIZFNDOIYIN-WLDKUNSKSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-13-8-12(2)9-14(10-13)11-16-6-4-15(17)5-7-16/h12-15,17H,3-11H2,1-2H3/t12-,13+,14?/m0/s1.
What are the key properties of 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol?
1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol has a molecular weight of 239.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 58829021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).