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

C19H18ClF2NO2 — CID 4275068

IUPAC1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(F)cc1F)c1ccccc1Cl
InChIInChI=1S/C19H18ClF2NO2/c20-15-6-2-1-5-13(15)18(14-9-8-12(21)11-16(14)22)23-10-4-3-7-17(23)19(24)25/h1-2,5-6,8-9,11,17-18H,3-4,7,10H2,(H,24,25)
InChIKeySDHKCTYWFXETIO-UHFFFAOYSA-N
MW365.81 g/mol
LogP4.65
Rot. Bonds4

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

1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4275068) has the molecular formula C19H18ClF2NO2 and a molecular weight of 365.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4275068
Molecular FormulaC19H18ClF2NO2
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(F)cc1F)c1ccccc1Cl
InChIInChI=1S/C19H18ClF2NO2/c20-15-6-2-1-5-13(15)18(14-9-8-12(21)11-16(14)22)23-10-4-3-7-17(23)19(24)25/h1-2,5-6,8-9,11,17-18H,3-4,7,10H2,(H,24,25)
InChIKeySDHKCTYWFXETIO-UHFFFAOYSA-N
XLogP4.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 76324961
(S,E)-1-(3-Chloro-4-(2-(2-methyl-[1,1'-biphenyl]-3-yl)vinyl)benzyl)piperidine-2-carboxylic acid
CID 141765561
(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-[(2-Chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
2-(3-Chloro-4-fluorophenyl)-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]acetic acid
CID 72912501
2-(2-Chloro-6-fluorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride
CID 75480633
2-(4-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243941
2-(2-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243943
Ethyl 1-(2-chloro-6-fluorobenzyl)-2-piperidinecarboxylate
CID 5333483
1-[Bis(4-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 5033095
(2R)-1-[[4-(3-chloro-4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxylic acid
CID 18727125
methyl 1-[(Z)-3-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enyl]piperidine-2-carboxylate
CID 21019973

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid (CID 4275068) is 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1ccc(F)cc1F)c1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is SDHKCTYWFXETIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO2/c20-15-6-2-1-5-13(15)18(14-9-8-12(21)11-16(14)22)23-10-4-3-7-17(23)19(24)25/h1-2,5-6,8-9,11,17-18H,3-4,7,10H2,(H,24,25).
What are the key properties of 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 365.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).