1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid

C18H21N3O2 — CID 4216734

IUPAC1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccncc2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C18H21N3O2/c1-13-2-3-16(20-12-13)17(14-4-8-19-9-5-14)21-10-6-15(7-11-21)18(22)23/h2-5,8-9,12,15,17H,6-7,10-11H2,1H3,(H,22,23)
InChIKeyPNDXACHFCMFOCR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.67
Rot. Bonds4

About 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid

1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 4216734) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
PubChem CID4216734
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccncc2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C18H21N3O2/c1-13-2-3-16(20-12-13)17(14-4-8-19-9-5-14)21-10-6-15(7-11-21)18(22)23/h2-5,8-9,12,15,17H,6-7,10-11H2,1H3,(H,22,23)
InChIKeyPNDXACHFCMFOCR-UHFFFAOYSA-N
XLogP2.67
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3455065
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(4-fluorophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4010829
1-[(3-methyl-4-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 4236669
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5091843
1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
CID 3914852
1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid
CID 82020132

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid (CID 4216734) is 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccncc2)N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is PNDXACHFCMFOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-2-3-16(20-12-13)17(14-4-8-19-9-5-14)21-10-6-15(7-11-21)18(22)23/h2-5,8-9,12,15,17H,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid?
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4216734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).