1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol

C14H29NO3 — CID 157039430

IUPAC1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol
SMILESCO.OCC1CC(O)CCN1CC1CCCCC1
InChIInChI=1S/C13H25NO2.CH4O/c15-10-12-8-13(16)6-7-14(12)9-11-4-2-1-3-5-11;1-2/h11-13,15-16H,1-10H2;2H,1H3
InChIKeyKVIWVZFDRDASML-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.99
Rot. Bonds3

About 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol

1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol (PubChem CID 157039430) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol
PubChem CID157039430
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol
SMILESCO.OCC1CC(O)CCN1CC1CCCCC1
InChIInChI=1S/C13H25NO2.CH4O/c15-10-12-8-13(16)6-7-14(12)9-11-4-2-1-3-5-11;1-2/h11-13,15-16H,1-10H2;2H,1H3
InChIKeyKVIWVZFDRDASML-UHFFFAOYSA-N
XLogP0.99
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol?
The IUPAC name of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol (CID 157039430) is 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol is CO.OCC1CC(O)CCN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol?
The InChIKey is KVIWVZFDRDASML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.CH4O/c15-10-12-8-13(16)6-7-14(12)9-11-4-2-1-3-5-11;1-2/h11-13,15-16H,1-10H2;2H,1H3.
What are the key properties of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol?
1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol has a molecular weight of 259.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol is sourced from PubChem (CID 157039430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).