1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid

C13H16Cl2N2O2 — CID 167872013

IUPAC1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O2/c1-13(12(18)19)3-2-4-17(8-13)7-11-10(15)5-9(14)6-16-11/h5-6H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyTWFWVTQUXFVUHO-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.08
Rot. Bonds3

About 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 167872013) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID167872013
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O2/c1-13(12(18)19)3-2-4-17(8-13)7-11-10(15)5-9(14)6-16-11/h5-6H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyTWFWVTQUXFVUHO-UHFFFAOYSA-N
XLogP3.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.08
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-[(5-bromo-2-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114077323
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
1-[(4-chloro-2-nitrophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63136232
1-[(4-chloro-2,6-dimethylphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046376
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
3-[1-[(3,5-dichloro-2-pyridinyl)methyl]piperidin-3-yl]propanoic acid
CID 122100925
1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052316
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 63137246
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 167872013) is 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is TWFWVTQUXFVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-13(12(18)19)3-2-4-17(8-13)7-11-10(15)5-9(14)6-16-11/h5-6H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 303.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 167872013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).