3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid

C14H20N2O2 — CID 104823891

IUPAC3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CN2CCCC(C)(C(=O)O)C2)cn1
InChIInChI=1S/C14H20N2O2/c1-11-4-5-12(8-15-11)9-16-7-3-6-14(2,10-16)13(17)18/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyHRLLDEKEINHTHC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid

3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid (PubChem CID 104823891) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
PubChem CID104823891
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CN2CCCC(C)(C(=O)O)C2)cn1
InChIInChI=1S/C14H20N2O2/c1-11-4-5-12(8-15-11)9-16-7-3-6-14(2,10-16)13(17)18/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyHRLLDEKEINHTHC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068621
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 63137246
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64948996
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 110249082
1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 167872013
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid (CID 104823891) is 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid is Cc1ccc(CN2CCCC(C)(C(=O)O)C2)cn1.
What is the InChIKey of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is HRLLDEKEINHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-5-12(8-15-11)9-16-7-3-6-14(2,10-16)13(17)18/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid?
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104823891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).