4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol

C22H27ClFNO — CID 155541844

IUPAC4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27ClFNO/c23-20-9-7-19(8-10-20)22(26)13-16-25(17-14-22)15-3-1-2-4-18-5-11-21(24)12-6-18/h5-12,26H,1-4,13-17H2
InChIKeyMQMHUVUFIHZNDA-UHFFFAOYSA-N
MW375.92 g/mol
LogP5.18
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol (PubChem CID 155541844) has the molecular formula C22H27ClFNO and a molecular weight of 375.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
PubChem CID155541844
Molecular FormulaC22H27ClFNO
Molecular Weight375.92 g/mol
Exact Mass375.18
IUPAC Name4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27ClFNO/c23-20-9-7-19(8-10-20)22(26)13-16-25(17-14-22)15-3-1-2-4-18-5-11-21(24)12-6-18/h5-12,26H,1-4,13-17H2
InChIKeyMQMHUVUFIHZNDA-UHFFFAOYSA-N
XLogP5.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.92
LogP ≤ 55.18
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-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol (CID 155541844) is 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol?
The InChIKey is MQMHUVUFIHZNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFNO/c23-20-9-7-19(8-10-20)22(26)13-16-25(17-14-22)15-3-1-2-4-18-5-11-21(24)12-6-18/h5-12,26H,1-4,13-17H2.
What are the key properties of 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol has a molecular weight of 375.92 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol is sourced from PubChem (CID 155541844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).