9-cyclohexyl-1-piperidin-1-ylnonan-1-one

C20H37NO — CID 171354672

IUPAC9-cyclohexyl-1-piperidin-1-ylnonan-1-one
SMILESO=C(CCCCCCCCC1CCCCC1)N1CCCCC1
InChIInChI=1S/C20H37NO/c22-20(21-17-11-6-12-18-21)16-10-4-2-1-3-7-13-19-14-8-5-9-15-19/h19H,1-18H2
InChIKeyJPOFVWDYFRJWQK-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.70
Rot. Bonds9

About 9-cyclohexyl-1-piperidin-1-ylnonan-1-one

9-cyclohexyl-1-piperidin-1-ylnonan-1-one (PubChem CID 171354672) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 9-cyclohexyl-1-piperidin-1-ylnonan-1-one.

Molecular Properties

Compound Name9-cyclohexyl-1-piperidin-1-ylnonan-1-one
PubChem CID171354672
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name9-cyclohexyl-1-piperidin-1-ylnonan-1-one
SMILESO=C(CCCCCCCCC1CCCCC1)N1CCCCC1
InChIInChI=1S/C20H37NO/c22-20(21-17-11-6-12-18-21)16-10-4-2-1-3-7-13-19-14-8-5-9-15-19/h19H,1-18H2
InChIKeyJPOFVWDYFRJWQK-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-1-piperidin-1-ylnonan-1-one?
The IUPAC name of 9-cyclohexyl-1-piperidin-1-ylnonan-1-one (CID 171354672) is 9-cyclohexyl-1-piperidin-1-ylnonan-1-one.
What is the SMILES notation for 9-cyclohexyl-1-piperidin-1-ylnonan-1-one?
The canonical SMILES for 9-cyclohexyl-1-piperidin-1-ylnonan-1-one is O=C(CCCCCCCCC1CCCCC1)N1CCCCC1.
What is the InChIKey of 9-cyclohexyl-1-piperidin-1-ylnonan-1-one?
The InChIKey is JPOFVWDYFRJWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c22-20(21-17-11-6-12-18-21)16-10-4-2-1-3-7-13-19-14-8-5-9-15-19/h19H,1-18H2.
What are the key properties of 9-cyclohexyl-1-piperidin-1-ylnonan-1-one?
9-cyclohexyl-1-piperidin-1-ylnonan-1-one has a molecular weight of 307.52 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-1-piperidin-1-ylnonan-1-one is sourced from PubChem (CID 171354672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).