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

C16H23NO4 — CID 82224104

IUPAC1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1OCCCN1CCCCC1C(=O)O
InChIInChI=1S/C16H23NO4/c1-20-14-8-2-3-9-15(14)21-12-6-11-17-10-5-4-7-13(17)16(18)19/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,19)
InChIKeyISERONUQGFDXPL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.40
Rot. Bonds7

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

1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid (PubChem CID 82224104) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
PubChem CID82224104
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1OCCCN1CCCCC1C(=O)O
InChIInChI=1S/C16H23NO4/c1-20-14-8-2-3-9-15(14)21-12-6-11-17-10-5-4-7-13(17)16(18)19/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,19)
InChIKeyISERONUQGFDXPL-UHFFFAOYSA-N
XLogP2.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
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
methyl 1-[3-(2-iodophenoxy)propyl]piperidine-2-carboxylate
CID 170456399
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidine-2-carboxylic acid
CID 43442169
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
(2S)-1-[(3-butoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid (CID 82224104) is 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid is COc1ccccc1OCCCN1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid?
The InChIKey is ISERONUQGFDXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-14-8-2-3-9-15(14)21-12-6-11-17-10-5-4-7-13(17)16(18)19/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,19).
What are the key properties of 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid?
1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82224104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).