1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid

C15H20FNO2 — CID 65068526

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1cc(CN2CCCC(C)(C(=O)O)C2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-11-8-12(4-5-13(11)16)9-17-7-3-6-15(2,10-17)14(18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyAGKINCITLCSHRO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.82
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 65068526) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID65068526
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1cc(CN2CCCC(C)(C(=O)O)C2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-11-8-12(4-5-13(11)16)9-17-7-3-6-15(2,10-17)14(18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyAGKINCITLCSHRO-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137125
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046108

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 65068526) is 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid is Cc1cc(CN2CCCC(C)(C(=O)O)C2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is AGKINCITLCSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-8-12(4-5-13(11)16)9-17-7-3-6-15(2,10-17)14(18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).