2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate

C17H25NO4 — CID 56913114

IUPAC2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C17H25NO4/c1-21-12-13-22-17(20)18-11-3-2-4-15(18)8-5-14-6-9-16(19)10-7-14/h6-7,9-10,15,19H,2-5,8,11-13H2,1H3
InChIKeyNHPOQGBQLFPPMQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.96
Rot. Bonds6

About 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate

2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate (PubChem CID 56913114) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
PubChem CID56913114
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C17H25NO4/c1-21-12-13-22-17(20)18-11-3-2-4-15(18)8-5-14-6-9-16(19)10-7-14/h6-7,9-10,15,19H,2-5,8,11-13H2,1H3
InChIKeyNHPOQGBQLFPPMQ-UHFFFAOYSA-N
XLogP2.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.96
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-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96580901
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
CID 95727588
1-[3-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 46990239
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
1-[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 96573249
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
tert-butyl 2-[2-(4-bromophenyl)ethyl]pyrrolidine-1-carboxylate
CID 58185539

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate (CID 56913114) is 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate is COCCOC(=O)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is NHPOQGBQLFPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-21-12-13-22-17(20)18-11-3-2-4-15(18)8-5-14-6-9-16(19)10-7-14/h6-7,9-10,15,19H,2-5,8,11-13H2,1H3.
What are the key properties of 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate?
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 56913114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).