2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate

C17H25NO3 — CID 95724358

IUPAC2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-20-13-14-21-17(19)18-12-6-5-9-16(18)11-10-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyREWBDAAPPUEZGY-MRXNPFEDSA-N
MW291.39 g/mol
LogP3.26
Rot. Bonds6

About 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate

2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate (PubChem CID 95724358) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
PubChem CID95724358
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-20-13-14-21-17(19)18-12-6-5-9-16(18)11-10-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyREWBDAAPPUEZGY-MRXNPFEDSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
3-benzylsulfanyl-1-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 124750770
4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 120588727
methyl 2-benzylazepane-1-carboxylate
CID 102314657
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate (CID 95724358) is 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate is COCCOC(=O)N1CCCC[C@@H]1CCc1ccccc1.
What is the InChIKey of 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate?
The InChIKey is REWBDAAPPUEZGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-13-14-21-17(19)18-12-6-5-9-16(18)11-10-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate?
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 95724358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).