(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol

C22H28FNO — CID 15212884

IUPAC(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H28FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,22,25H,4-5,8,13-17H2
InChIKeyVDIAGIXWYFPSJN-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.59
Rot. Bonds7

About (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol

(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol (PubChem CID 15212884) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol
PubChem CID15212884
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H28FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,22,25H,4-5,8,13-17H2
InChIKeyVDIAGIXWYFPSJN-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.59
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 (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol (CID 15212884) is (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol is OC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
The InChIKey is VDIAGIXWYFPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,22,25H,4-5,8,13-17H2.
What are the key properties of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol?
(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol has a molecular weight of 341.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanol is sourced from PubChem (CID 15212884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).