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

C13H25NO2 — CID 157039431

IUPAC1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCCCC1
InChIInChI=1S/C13H25NO2/c15-10-12-8-13(16)6-7-14(12)9-11-4-2-1-3-5-11/h11-13,15-16H,1-10H2
InChIKeyKQNUMCKORVXEEF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds3

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

1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039431) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039431
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCCCC1
InChIInChI=1S/C13H25NO2/c15-10-12-8-13(16)6-7-14(12)9-11-4-2-1-3-5-11/h11-13,15-16H,1-10H2
InChIKeyKQNUMCKORVXEEF-UHFFFAOYSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol (CID 157039431) is 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol is OCC1CC(O)CCN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is KQNUMCKORVXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-10-12-8-13(16)6-7-14(12)9-11-4-2-1-3-5-11/h11-13,15-16H,1-10H2.
What are the key properties of 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol?
1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 227.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).