1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid

C15H19F2NO2 — CID 178017051

IUPAC1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(C)(c1cc(F)cc(F)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19F2NO2/c1-15(2,11-7-12(16)9-13(17)8-11)18-5-3-10(4-6-18)14(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeySBMWLUGATUHEBJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.00
Rot. Bonds3

About 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid

1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 178017051) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID178017051
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(C)(c1cc(F)cc(F)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19F2NO2/c1-15(2,11-7-12(16)9-13(17)8-11)18-5-3-10(4-6-18)14(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeySBMWLUGATUHEBJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103255963
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
1-[[2-(3,5-difluorophenoxy)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122013884
1-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236282
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
4-[(3,5-difluoroanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499058
2-[(3,5-difluorophenyl)methyl]-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 66732241
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
1-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 144895414
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid (CID 178017051) is 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid is CC(C)(c1cc(F)cc(F)c1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is SBMWLUGATUHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(2,11-7-12(16)9-13(17)8-11)18-5-3-10(4-6-18)14(19)20/h7-10H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 178017051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).