2-phenoxyethyl (2R)-piperidine-2-carboxylate

C14H19NO3 — CID 79034822

IUPAC2-phenoxyethyl (2R)-piperidine-2-carboxylate
SMILESO=C(OCCOc1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO3/c16-14(13-8-4-5-9-15-13)18-11-10-17-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1
InChIKeyLVAMRWHOYQBEBA-CYBMUJFWSA-N
MW249.31 g/mol
LogP1.75
Rot. Bonds5

About 2-phenoxyethyl (2R)-piperidine-2-carboxylate

2-phenoxyethyl (2R)-piperidine-2-carboxylate (PubChem CID 79034822) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-phenoxyethyl (2R)-piperidine-2-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl (2R)-piperidine-2-carboxylate
PubChem CID79034822
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-phenoxyethyl (2R)-piperidine-2-carboxylate
SMILESO=C(OCCOc1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO3/c16-14(13-8-4-5-9-15-13)18-11-10-17-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1
InChIKeyLVAMRWHOYQBEBA-CYBMUJFWSA-N
XLogP1.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.75
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

2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
CID 61302855
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119832969
propyl piperidine-2-carboxylate
CID 43248024
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 154604117
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl (2R)-piperidine-2-carboxylate?
The IUPAC name of 2-phenoxyethyl (2R)-piperidine-2-carboxylate (CID 79034822) is 2-phenoxyethyl (2R)-piperidine-2-carboxylate.
What is the SMILES notation for 2-phenoxyethyl (2R)-piperidine-2-carboxylate?
The canonical SMILES for 2-phenoxyethyl (2R)-piperidine-2-carboxylate is O=C(OCCOc1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of 2-phenoxyethyl (2R)-piperidine-2-carboxylate?
The InChIKey is LVAMRWHOYQBEBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(13-8-4-5-9-15-13)18-11-10-17-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of 2-phenoxyethyl (2R)-piperidine-2-carboxylate?
2-phenoxyethyl (2R)-piperidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl (2R)-piperidine-2-carboxylate is sourced from PubChem (CID 79034822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).