1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid

C19H19ClFNO2 — CID 3935338

IUPAC1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClFNO2/c20-15-7-3-5-13(11-15)18(14-6-4-8-16(21)12-14)22-10-2-1-9-17(22)19(23)24/h3-8,11-12,17-18H,1-2,9-10H2,(H,23,24)
InChIKeySSPBFPWIEGYZKM-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.51
Rot. Bonds4

About 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid

1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3935338) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3935338
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClFNO2/c20-15-7-3-5-13(11-15)18(14-6-4-8-16(21)12-14)22-10-2-1-9-17(22)19(23)24/h3-8,11-12,17-18H,1-2,9-10H2,(H,23,24)
InChIKeySSPBFPWIEGYZKM-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

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-(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
(3-Chloro-4-fluorophenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72837870
2-(3-Chloro-4-fluorophenyl)-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]acetic acid
CID 72912501
(3-Chloro-4-fluorophenyl)[4-(2-methoxyethoxy)piperidin-1-YL]acetic acid
CID 72933150
Brl 26314
CID 133237
(2S)-2-[(3R)-4-[bis(4-chlorophenyl)methyl]-3-methylpiperazin-1-yl]propanoic acid
CID 25063688
1-((4-Fluorophenyl)methyl)piperidine-2-carboxylic acid
CID 3351962

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid (CID 3935338) is 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is SSPBFPWIEGYZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-15-7-3-5-13(11-15)18(14-6-4-8-16(21)12-14)22-10-2-1-9-17(22)19(23)24/h3-8,11-12,17-18H,1-2,9-10H2,(H,23,24).
What are the key properties of 1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-chlorophenyl)-(3-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-[(3-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3935338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).