1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid

C15H20ClNO3 — CID 82224108

IUPAC1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCCOc1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c16-12-6-1-2-8-14(12)20-11-5-10-17-9-4-3-7-13(17)15(18)19/h1-2,6,8,13H,3-5,7,9-11H2,(H,18,19)
InChIKeyDRZXNFYCHOVACY-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.05
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid

1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid (PubChem CID 82224108) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
PubChem CID82224108
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCCOc1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c16-12-6-1-2-8-14(12)20-11-5-10-17-9-4-3-7-13(17)15(18)19/h1-2,6,8,13H,3-5,7,9-11H2,(H,18,19)
InChIKeyDRZXNFYCHOVACY-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 82224167
1-[3-(2,4-dimethylphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224100
(2R)-1-[3-(2,6-dichlorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122038353
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072550
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
methyl 1-[3-(2-iodophenoxy)propyl]piperidine-2-carboxylate
CID 170456399
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid (CID 82224108) is 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCCOc1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid?
The InChIKey is DRZXNFYCHOVACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-12-6-1-2-8-14(12)20-11-5-10-17-9-4-3-7-13(17)15(18)19/h1-2,6,8,13H,3-5,7,9-11H2,(H,18,19).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid?
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid has a molecular weight of 297.78 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82224108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).