[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone

C18H25NO2 — CID 141436195

IUPAC[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone
SMILESO=C(c1ccccc1C1(O)CCCCC1)C1CCNCC1
InChIInChI=1S/C18H25NO2/c20-17(14-8-12-19-13-9-14)15-6-2-3-7-16(15)18(21)10-4-1-5-11-18/h2-3,6-7,14,19,21H,1,4-5,8-13H2
InChIKeyVTTPYWJVJXBOGH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.02
Rot. Bonds3

About [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone

[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone (PubChem CID 141436195) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone
PubChem CID141436195
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone
SMILESO=C(c1ccccc1C1(O)CCCCC1)C1CCNCC1
InChIInChI=1S/C18H25NO2/c20-17(14-8-12-19-13-9-14)15-6-2-3-7-16(15)18(21)10-4-1-5-11-18/h2-3,6-7,14,19,21H,1,4-5,8-13H2
InChIKeyVTTPYWJVJXBOGH-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone?
The IUPAC name of [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone (CID 141436195) is [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone.
What is the SMILES notation for [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone?
The canonical SMILES for [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone is O=C(c1ccccc1C1(O)CCCCC1)C1CCNCC1.
What is the InChIKey of [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone?
The InChIKey is VTTPYWJVJXBOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17(14-8-12-19-13-9-14)15-6-2-3-7-16(15)18(21)10-4-1-5-11-18/h2-3,6-7,14,19,21H,1,4-5,8-13H2.
What are the key properties of [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone?
[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone has a molecular weight of 287.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone is sourced from PubChem (CID 141436195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).