1-[(4-octylphenyl)methyl]piperidin-4-ol

C20H33NO — CID 72735265

IUPAC1-[(4-octylphenyl)methyl]piperidin-4-ol
SMILESCCCCCCCCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)17-21-15-13-20(22)14-16-21/h9-12,20,22H,2-8,13-17H2,1H3
InChIKeyDXWCHZAGBSYJBP-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.55
Rot. Bonds9

About 1-[(4-octylphenyl)methyl]piperidin-4-ol

1-[(4-octylphenyl)methyl]piperidin-4-ol (PubChem CID 72735265) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[(4-octylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-octylphenyl)methyl]piperidin-4-ol
PubChem CID72735265
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[(4-octylphenyl)methyl]piperidin-4-ol
SMILESCCCCCCCCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)17-21-15-13-20(22)14-16-21/h9-12,20,22H,2-8,13-17H2,1H3
InChIKeyDXWCHZAGBSYJBP-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(4-octylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-octylphenyl)methyl]piperidin-4-ol (CID 72735265) is 1-[(4-octylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-octylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-octylphenyl)methyl]piperidin-4-ol is CCCCCCCCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[(4-octylphenyl)methyl]piperidin-4-ol?
The InChIKey is DXWCHZAGBSYJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)17-21-15-13-20(22)14-16-21/h9-12,20,22H,2-8,13-17H2,1H3.
What are the key properties of 1-[(4-octylphenyl)methyl]piperidin-4-ol?
1-[(4-octylphenyl)methyl]piperidin-4-ol has a molecular weight of 303.49 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-octylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 72735265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).