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

C15H19ClF3NO — CID 151665899

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)CC1c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H19ClF3NO/c1-2-6-20-7-5-11(21)9-14(20)12-8-10(15(17,18)19)3-4-13(12)16/h3-4,8,11,14,21H,2,5-7,9H2,1H3
InChIKeyQXNFIJAKPGBWHZ-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.27
Rot. Bonds3

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

2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol (PubChem CID 151665899) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
PubChem CID151665899
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)CC1c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H19ClF3NO/c1-2-6-20-7-5-11(21)9-14(20)12-8-10(15(17,18)19)3-4-13(12)16/h3-4,8,11,14,21H,2,5-7,9H2,1H3
InChIKeyQXNFIJAKPGBWHZ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol (CID 151665899) is 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)CC1c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
The InChIKey is QXNFIJAKPGBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-2-6-20-7-5-11(21)9-14(20)12-8-10(15(17,18)19)3-4-13(12)16/h3-4,8,11,14,21H,2,5-7,9H2,1H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol?
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol has a molecular weight of 321.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 151665899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).