1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid

C18H24F3NO2 — CID 3680989

IUPAC1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1ccc(C(F)(F)F)cc1)N1CCCCC1C(=O)O
InChIInChI=1S/C18H24F3NO2/c1-2-3-6-15(22-12-5-4-7-16(22)17(23)24)13-8-10-14(11-9-13)18(19,20)21/h8-11,15-16H,2-7,12H2,1H3,(H,23,24)
InChIKeyZLJPFESACMSXDR-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.88
Rot. Bonds6

About 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid

1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid (PubChem CID 3680989) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
PubChem CID3680989
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1ccc(C(F)(F)F)cc1)N1CCCCC1C(=O)O
InChIInChI=1S/C18H24F3NO2/c1-2-3-6-15(22-12-5-4-7-16(22)17(23)24)13-8-10-14(11-9-13)18(19,20)21/h8-11,15-16H,2-7,12H2,1H3,(H,23,24)
InChIKeyZLJPFESACMSXDR-UHFFFAOYSA-N
XLogP4.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid (CID 3680989) is 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid is CCCCC(c1ccc(C(F)(F)F)cc1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid?
The InChIKey is ZLJPFESACMSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-2-3-6-15(22-12-5-4-7-16(22)17(23)24)13-8-10-14(11-9-13)18(19,20)21/h8-11,15-16H,2-7,12H2,1H3,(H,23,24).
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid?
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3680989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).