1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid

C14H17Cl2NO2 — CID 114426468

IUPAC1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2cc(Cl)ccc2Cl)C(C(=O)O)C1
InChIInChI=1S/C14H17Cl2NO2/c1-9-4-5-17(13(6-9)14(18)19)8-10-7-11(15)2-3-12(10)16/h2-3,7,9,13H,4-6,8H2,1H3,(H,18,19)
InChIKeySOXQKXIVKFMSDG-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.68
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid

1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426468) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426468
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2cc(Cl)ccc2Cl)C(C(=O)O)C1
InChIInChI=1S/C14H17Cl2NO2/c1-9-4-5-17(13(6-9)14(18)19)8-10-7-11(15)2-3-12(10)16/h2-3,7,9,13H,4-6,8H2,1H3,(H,18,19)
InChIKeySOXQKXIVKFMSDG-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426538
(2R,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50955470
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421356
1-[(4-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114851059
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 114867000
tert-butyl (2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxylate
CID 115537654
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426766
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582479

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid (CID 114426468) is 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(Cc2cc(Cl)ccc2Cl)C(C(=O)O)C1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is SOXQKXIVKFMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-9-4-5-17(13(6-9)14(18)19)8-10-7-11(15)2-3-12(10)16/h2-3,7,9,13H,4-6,8H2,1H3,(H,18,19).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 302.20 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).