1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid

C14H20N2O2 — CID 5161805

IUPAC1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
SMILESCc1cccnc1C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-7-15-13(10)11(2)16-8-5-12(6-9-16)14(17)18/h3-4,7,11-12H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyGXKTVMWXPKYYGW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.25
Rot. Bonds3

About 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid

1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 5161805) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
PubChem CID5161805
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
SMILESCc1cccnc1C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-7-15-13(10)11(2)16-8-5-12(6-9-16)14(17)18/h3-4,7,11-12H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyGXKTVMWXPKYYGW-UHFFFAOYSA-N
XLogP2.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid (CID 5161805) is 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid is Cc1cccnc1C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is GXKTVMWXPKYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-7-15-13(10)11(2)16-8-5-12(6-9-16)14(17)18/h3-4,7,11-12H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid?
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5161805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).