1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid

C19H20Cl2N2O2 — CID 3942959

IUPAC1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(Cc2ccccn2)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H20Cl2N2O2/c20-14-6-7-16(17(21)10-14)18(11-15-5-1-2-8-22-15)23-9-3-4-13(12-23)19(24)25/h1-2,5-8,10,13,18H,3-4,9,11-12H2,(H,24,25)
InChIKeyBJQHHOIOKABXQF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.47
Rot. Bonds5

About 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid

1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid (PubChem CID 3942959) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid
PubChem CID3942959
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(Cc2ccccn2)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H20Cl2N2O2/c20-14-6-7-16(17(21)10-14)18(11-15-5-1-2-8-22-15)23-9-3-4-13(12-23)19(24)25/h1-2,5-8,10,13,18H,3-4,9,11-12H2,(H,24,25)
InChIKeyBJQHHOIOKABXQF-UHFFFAOYSA-N
XLogP4.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid (CID 3942959) is 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(Cc2ccccn2)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid?
The InChIKey is BJQHHOIOKABXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-14-6-7-16(17(21)10-14)18(11-15-5-1-2-8-22-15)23-9-3-4-13(12-23)19(24)25/h1-2,5-8,10,13,18H,3-4,9,11-12H2,(H,24,25).
What are the key properties of 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid?
1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid has a molecular weight of 379.29 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3942959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).