4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one

C20H29NO2 — CID 23150285

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29NO2/c22-19-9-5-17(6-10-19)18-7-11-20(12-8-18)23-16-4-15-21-13-2-1-3-14-21/h7-8,11-12,17H,1-6,9-10,13-16H2
InChIKeyPAWKQFHVEWLZGA-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.17
Rot. Bonds6

About 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one

4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one (PubChem CID 23150285) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one
PubChem CID23150285
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29NO2/c22-19-9-5-17(6-10-19)18-7-11-20(12-8-18)23-16-4-15-21-13-2-1-3-14-21/h7-8,11-12,17H,1-6,9-10,13-16H2
InChIKeyPAWKQFHVEWLZGA-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one (CID 23150285) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one is O=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one?
The InChIKey is PAWKQFHVEWLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c22-19-9-5-17(6-10-19)18-7-11-20(12-8-18)23-16-4-15-21-13-2-1-3-14-21/h7-8,11-12,17H,1-6,9-10,13-16H2.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one has a molecular weight of 315.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-one is sourced from PubChem (CID 23150285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).