1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid

C19H19ClFNO2 — CID 3263575

IUPAC1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C19H19ClFNO2/c20-14-10-8-13(9-11-14)18(15-5-1-2-6-16(15)21)22-12-4-3-7-17(22)19(23)24/h1-2,5-6,8-11,17-18H,3-4,7,12H2,(H,23,24)
InChIKeyBTVHPDIXTOWZJJ-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.51
Rot. Bonds4

About 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid

1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3263575) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3263575
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C19H19ClFNO2/c20-14-10-8-13(9-11-14)18(15-5-1-2-6-16(15)21)22-12-4-3-7-17(22)19(23)24/h1-2,5-6,8-11,17-18H,3-4,7,12H2,(H,23,24)
InChIKeyBTVHPDIXTOWZJJ-UHFFFAOYSA-N
XLogP4.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-1-((1R)-1-(4-Chlorophenyl)-4-methylpentyl)-2-(4-(trifluoromethyl)phenyl)piperidine-4-acetic acid
CID 57987388
2-[(2S,4R)-1-[(Z,1R)-1-(4-chlorophenyl)-4-methylpent-2-enyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 71456955
2-[(2R,4S)-1-[(Z,1S)-1-(4-chlorophenyl)-4-methylpent-2-enyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 71458822
methyl (2S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate
CID 168289633
1-[(3-Fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3939326
DE(Carboxymethoxy) cetirizine acetic acid
CID 25063264
2-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 76324961
(S,E)-1-(5-Chloro-2-methyl-4-(2-(2-methyl-[1,1'-biphenyl]-3-yl)vinyl)benzyl)piperidine-2-carboxylic acid
CID 167005556
2-(4-Chlorophenyl)-2-(morpholin-4-yl)acetic acid
CID 6484114
4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineacetic Acid Dihydrochloride
CID 68928581
2-[(2-Chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
(4-Chloro-3-fluorophenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72838826

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid (CID 3263575) is 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is BTVHPDIXTOWZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-14-10-8-13(9-11-14)18(15-5-1-2-6-16(15)21)22-12-4-3-7-17(22)19(23)24/h1-2,5-6,8-11,17-18H,3-4,7,12H2,(H,23,24).
What are the key properties of 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 347.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3263575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).