1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid

C19H18ClF2NO2 — CID 3254670

IUPAC1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H18ClF2NO2/c20-13-5-3-4-12(10-13)18(15-8-7-14(21)11-16(15)22)23-9-2-1-6-17(23)19(24)25/h3-5,7-8,10-11,17-18H,1-2,6,9H2,(H,24,25)
InChIKeyOEAGJBSWJUEDDZ-UHFFFAOYSA-N
MW365.81 g/mol
LogP4.65
Rot. Bonds4

About 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid

1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3254670) has the molecular formula C19H18ClF2NO2 and a molecular weight of 365.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3254670
Molecular FormulaC19H18ClF2NO2
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H18ClF2NO2/c20-13-5-3-4-12(10-13)18(15-8-7-14(21)11-16(15)22)23-9-2-1-6-17(23)19(24)25/h3-5,7-8,10-11,17-18H,1-2,6,9H2,(H,24,25)
InChIKeyOEAGJBSWJUEDDZ-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

(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-(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
6-[(3-Chloro-4-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 103041290
6-[(5-Chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 103049933
2-(4-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243941
2-(2-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243943
(2S)-2-[(5-chloro-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 164633269
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-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid (CID 3254670) is 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1cccc(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is OEAGJBSWJUEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO2/c20-13-5-3-4-12(10-13)18(15-8-7-14(21)11-16(15)22)23-9-2-1-6-17(23)19(24)25/h3-5,7-8,10-11,17-18H,1-2,6,9H2,(H,24,25).
What are the key properties of 1-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-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-[(3-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3254670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).