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

C20H31NO2 — CID 15940927

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31NO2/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/h7-8,11-12,17,19,22H,1-6,9-10,13-16H2
InChIKeyVKZMICHNLVMXRJ-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.96
Rot. Bonds6

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

4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol (PubChem CID 15940927) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
PubChem CID15940927
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31NO2/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/h7-8,11-12,17,19,22H,1-6,9-10,13-16H2
InChIKeyVKZMICHNLVMXRJ-UHFFFAOYSA-N
XLogP3.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol (CID 15940927) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol is OC1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
The InChIKey is VKZMICHNLVMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/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/h7-8,11-12,17,19,22H,1-6,9-10,13-16H2.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-ol has a molecular weight of 317.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 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-ol is sourced from PubChem (CID 15940927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).