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

C17H18F3NO2 — CID 146380545

IUPAC4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=Cc2ccc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)14-4-3-13(15(10-14)12-1-2-12)9-11-5-7-21(8-6-11)16(22)23/h3-4,9-10,12H,1-2,5-8H2,(H,22,23)
InChIKeyNIBXZVUVIYTREE-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.74
Rot. Bonds2

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

4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid (PubChem CID 146380545) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid
PubChem CID146380545
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=Cc2ccc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)14-4-3-13(15(10-14)12-1-2-12)9-11-5-7-21(8-6-11)16(22)23/h3-4,9-10,12H,1-2,5-8H2,(H,22,23)
InChIKeyNIBXZVUVIYTREE-UHFFFAOYSA-N
XLogP4.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid
CID 23112413
(3S)-3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylic acid
CID 68742148
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazine-1-carboxylic acid
CID 130454938
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 171115863
2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 166174078
4-[1-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-yl]piperidine-1-carboxylic acid
CID 175427329
2-cyclopropyl-4-(trifluoromethyl)benzonitrile
CID 90241288
3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135334

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid (CID 146380545) is 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid is O=C(O)N1CCC(=Cc2ccc(C(F)(F)F)cc2C2CC2)CC1.
What is the InChIKey of 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The InChIKey is NIBXZVUVIYTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c18-17(19,20)14-4-3-13(15(10-14)12-1-2-12)9-11-5-7-21(8-6-11)16(22)23/h3-4,9-10,12H,1-2,5-8H2,(H,22,23).
What are the key properties of 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid is sourced from PubChem (CID 146380545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).