2-phenoxyethyl 1-methylpiperidine-4-carboxylate

C15H21NO3 — CID 121413233

IUPAC2-phenoxyethyl 1-methylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)OCCOc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-16-9-7-13(8-10-16)15(17)19-12-11-18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeySIKACTPKIYTSHP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds5

About 2-phenoxyethyl 1-methylpiperidine-4-carboxylate

2-phenoxyethyl 1-methylpiperidine-4-carboxylate (PubChem CID 121413233) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-phenoxyethyl 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 1-methylpiperidine-4-carboxylate
PubChem CID121413233
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-phenoxyethyl 1-methylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)OCCOc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-16-9-7-13(8-10-16)15(17)19-12-11-18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeySIKACTPKIYTSHP-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 24685401
2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836469
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
ethyl 1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperidine-4-carboxylate
CID 54837905
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
ethyl 1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate
CID 17231062
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
CID 61302855
4-O-[2-(4-bromophenoxy)ethyl] 1-O-tert-butyl piperidine-1,4-dicarboxylate
CID 55393223
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
2-(4-methylphenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602851

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 1-methylpiperidine-4-carboxylate?
The IUPAC name of 2-phenoxyethyl 1-methylpiperidine-4-carboxylate (CID 121413233) is 2-phenoxyethyl 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 1-methylpiperidine-4-carboxylate?
The canonical SMILES for 2-phenoxyethyl 1-methylpiperidine-4-carboxylate is CN1CCC(C(=O)OCCOc2ccccc2)CC1.
What is the InChIKey of 2-phenoxyethyl 1-methylpiperidine-4-carboxylate?
The InChIKey is SIKACTPKIYTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-9-7-13(8-10-16)15(17)19-12-11-18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 2-phenoxyethyl 1-methylpiperidine-4-carboxylate?
2-phenoxyethyl 1-methylpiperidine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 121413233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).