4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid

C14H17F2NO2 — CID 115050174

IUPAC4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid
SMILESCc1cccc(N2CCC(C(=O)O)(C(F)F)CC2)c1
InChIInChI=1S/C14H17F2NO2/c1-10-3-2-4-11(9-10)17-7-5-14(6-8-17,12(15)16)13(18)19/h2-4,9,12H,5-8H2,1H3,(H,18,19)
InChIKeyMARNEEOWFFSAJM-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.93
Rot. Bonds3

About 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid

4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid (PubChem CID 115050174) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid
PubChem CID115050174
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid
SMILESCc1cccc(N2CCC(C(=O)O)(C(F)F)CC2)c1
InChIInChI=1S/C14H17F2NO2/c1-10-3-2-4-11(9-10)17-7-5-14(6-8-17,12(15)16)13(18)19/h2-4,9,12H,5-8H2,1H3,(H,18,19)
InChIKeyMARNEEOWFFSAJM-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 115052599
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013143
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970450
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid (CID 115050174) is 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid is Cc1cccc(N2CCC(C(=O)O)(C(F)F)CC2)c1.
What is the InChIKey of 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid?
The InChIKey is MARNEEOWFFSAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-10-3-2-4-11(9-10)17-7-5-14(6-8-17,12(15)16)13(18)19/h2-4,9,12H,5-8H2,1H3,(H,18,19).
What are the key properties of 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid?
4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid has a molecular weight of 269.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115050174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).