1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid

C18H21N3O2 — CID 4286493

IUPAC1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(Cc1ccccn1)c1ccccn1
InChIInChI=1S/C18H21N3O2/c22-18(23)16-9-3-6-12-21(16)17(15-8-2-5-11-20-15)13-14-7-1-4-10-19-14/h1-2,4-5,7-8,10-11,16-17H,3,6,9,12-13H2,(H,22,23)
InChIKeyFKJNTTVVMAHLFK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.70
Rot. Bonds5

About 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid

1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid (PubChem CID 4286493) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
PubChem CID4286493
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(Cc1ccccn1)c1ccccn1
InChIInChI=1S/C18H21N3O2/c22-18(23)16-9-3-6-12-21(16)17(15-8-2-5-11-20-15)13-14-7-1-4-10-19-14/h1-2,4-5,7-8,10-11,16-17H,3,6,9,12-13H2,(H,22,23)
InChIKeyFKJNTTVVMAHLFK-UHFFFAOYSA-N
XLogP2.70
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid
CID 4269127
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid
CID 5236155
1-[1-(5-bromo-2-ethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid
CID 4527178
1-[1-(3,4-diethoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid
CID 3930999
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[1-(4-ethoxy-3-methoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid
CID 5175669
1-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid
CID 4540367
1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3979426
1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid (CID 4286493) is 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(Cc1ccccn1)c1ccccn1.
What is the InChIKey of 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid?
The InChIKey is FKJNTTVVMAHLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(23)16-9-3-6-12-21(16)17(15-8-2-5-11-20-15)13-14-7-1-4-10-19-14/h1-2,4-5,7-8,10-11,16-17H,3,6,9,12-13H2,(H,22,23).
What are the key properties of 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid?
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 4286493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).