4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol

C23H29ClFNO2 — CID 21453229

IUPAC4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol
SMILESCCCc1cc(F)ccc1OCCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClFNO2/c1-2-4-18-17-21(25)9-10-22(18)28-16-3-13-26-14-11-23(27,12-15-26)19-5-7-20(24)8-6-19/h5-10,17,27H,2-4,11-16H2,1H3
InChIKeyIYQWDEGURUTCSJ-UHFFFAOYSA-N
MW405.94 g/mol
LogP5.18
Rot. Bonds8

About 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol (PubChem CID 21453229) has the molecular formula C23H29ClFNO2 and a molecular weight of 405.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol
PubChem CID21453229
Molecular FormulaC23H29ClFNO2
Molecular Weight405.94 g/mol
Exact Mass405.19
IUPAC Name4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol
SMILESCCCc1cc(F)ccc1OCCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClFNO2/c1-2-4-18-17-21(25)9-10-22(18)28-16-3-13-26-14-11-23(27,12-15-26)19-5-7-20(24)8-6-19/h5-10,17,27H,2-4,11-16H2,1H3
InChIKeyIYQWDEGURUTCSJ-UHFFFAOYSA-N
XLogP5.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.94
LogP ≤ 55.18
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-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol (CID 21453229) is 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol is CCCc1cc(F)ccc1OCCCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol?
The InChIKey is IYQWDEGURUTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFNO2/c1-2-4-18-17-21(25)9-10-22(18)28-16-3-13-26-14-11-23(27,12-15-26)19-5-7-20(24)8-6-19/h5-10,17,27H,2-4,11-16H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol has a molecular weight of 405.94 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-(4-fluoro-2-propylphenoxy)propyl]piperidin-4-ol is sourced from PubChem (CID 21453229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).