4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol

C15H19ClF3NO — CID 22345161

IUPAC4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C15H19ClF3NO/c1-2-7-20-8-5-14(21,6-9-20)12-10-11(15(17,18)19)3-4-13(12)16/h3-4,10,21H,2,5-9H2,1H3
InChIKeyVJKQQUIHKUVZHF-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.05
Rot. Bonds3

About 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol

4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol (PubChem CID 22345161) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
PubChem CID22345161
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C15H19ClF3NO/c1-2-7-20-8-5-14(21,6-9-20)12-10-11(15(17,18)19)3-4-13(12)16/h3-4,10,21H,2,5-9H2,1H3
InChIKeyVJKQQUIHKUVZHF-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Penfluridol
CID 33630
Chlophedianol
CID 2795
4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
Chlophedianol Hydrochloride
CID 83813
4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
CID 89107
Dihydrohaloperidol, (S)-
CID 16048564
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
CID 70685046
2-(2-Chloro-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
CID 10501338
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(2-fluoro-phenyl)-pentanenitrile
CID 10596333
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pentafluorophenyl-pentanenitrile
CID 10647579

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol (CID 22345161) is 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)(c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
The InChIKey is VJKQQUIHKUVZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-2-7-20-8-5-14(21,6-9-20)12-10-11(15(17,18)19)3-4-13(12)16/h3-4,10,21H,2,5-9H2,1H3.
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol has a molecular weight of 321.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 22345161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).