1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid

C15H20ClNO3 — CID 107072550

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(CCOc2ccccc2Cl)C1C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-11-5-4-8-17(14(11)15(18)19)9-10-20-13-7-3-2-6-12(13)16/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyRNEMWPHBFPZOAH-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072550) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072550
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(CCOc2ccccc2Cl)C1C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-11-5-4-8-17(14(11)15(18)19)9-10-20-13-7-3-2-6-12(13)16/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyRNEMWPHBFPZOAH-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785697
1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152
1-[2-(2-chlorophenoxy)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372112
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784523
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 82224167
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid (CID 107072550) is 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(CCOc2ccccc2Cl)C1C(=O)O.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is RNEMWPHBFPZOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11-5-4-8-17(14(11)15(18)19)9-10-20-13-7-3-2-6-12(13)16/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 297.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).