4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol

C23H29ClFNOS — CID 67743242

IUPAC4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol
SMILESCSC(C)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29ClFNOS/c1-22(28-2,18-6-10-21(25)11-7-18)12-3-15-26-16-13-23(27,14-17-26)19-4-8-20(24)9-5-19/h4-11,27H,3,12-17H2,1-2H3
InChIKeyMFLMVGSXZXZWCI-UHFFFAOYSA-N
MW422.01 g/mol
LogP5.82
Rot. Bonds7

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

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol (PubChem CID 67743242) has the molecular formula C23H29ClFNOS and a molecular weight of 422.01 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol
PubChem CID67743242
Molecular FormulaC23H29ClFNOS
Molecular Weight422.01 g/mol
Exact Mass421.16
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol
SMILESCSC(C)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29ClFNOS/c1-22(28-2,18-6-10-21(25)11-7-18)12-3-15-26-16-13-23(27,14-17-26)19-4-8-20(24)9-5-19/h4-11,27H,3,12-17H2,1-2H3
InChIKeyMFLMVGSXZXZWCI-UHFFFAOYSA-N
XLogP5.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.01
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol (CID 67743242) is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol is CSC(C)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol?
The InChIKey is MFLMVGSXZXZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFNOS/c1-22(28-2,18-6-10-21(25)11-7-18)12-3-15-26-16-13-23(27,14-17-26)19-4-8-20(24)9-5-19/h4-11,27H,3,12-17H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol has a molecular weight of 422.01 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol is sourced from PubChem (CID 67743242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).