1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid

C17H24FNO2 — CID 84751556

IUPAC1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
SMILESCC(C)C(Cc1cccc(F)c1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24FNO2/c1-12(2)16(10-13-5-3-7-15(18)9-13)19-8-4-6-14(11-19)17(20)21/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3,(H,20,21)
InChIKeyDGWPDPZFYHBBTM-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.19
Rot. Bonds5

About 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid

1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid (PubChem CID 84751556) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
PubChem CID84751556
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
SMILESCC(C)C(Cc1cccc(F)c1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24FNO2/c1-12(2)16(10-13-5-3-7-15(18)9-13)19-8-4-6-14(11-19)17(20)21/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3,(H,20,21)
InChIKeyDGWPDPZFYHBBTM-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
1-[(3-fluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3671648
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
CID 84747688
1-[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 5014352
3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 53215775
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid (CID 84751556) is 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid is CC(C)C(Cc1cccc(F)c1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid?
The InChIKey is DGWPDPZFYHBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12(2)16(10-13-5-3-7-15(18)9-13)19-8-4-6-14(11-19)17(20)21/h3,5,7,9,12,14,16H,4,6,8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid?
1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 84751556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).