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

C21H33NO2 — CID 71601844

IUPAC4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H33NO2/c23-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)24-16-4-15-22-13-2-1-3-14-22/h7-8,11-12,18,20,23H,1-6,9-10,13-17H2
InChIKeyHKFWOTJVDCMHST-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.03
Rot. Bonds7

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

4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol (PubChem CID 71601844) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol
PubChem CID71601844
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H33NO2/c23-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)24-16-4-15-22-13-2-1-3-14-22/h7-8,11-12,18,20,23H,1-6,9-10,13-17H2
InChIKeyHKFWOTJVDCMHST-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.03
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]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol (CID 71601844) is 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol is OC1CCC(Cc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is HKFWOTJVDCMHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c23-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)24-16-4-15-22-13-2-1-3-14-22/h7-8,11-12,18,20,23H,1-6,9-10,13-17H2.
What are the key properties of 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol?
4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 331.50 g/mol, XLogP of 4.03, 7 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 71601844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).