benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate

C15H19NO4 — CID 59305246

IUPACbenzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(O)([C@H]2CO2)CC1
InChIInChI=1S/C15H19NO4/c17-14(20-10-12-4-2-1-3-5-12)16-8-6-15(18,7-9-16)13-11-19-13/h1-5,13,18H,6-11H2/t13-/m1/s1
InChIKeyOKYRPQQHZWCARA-CYBMUJFWSA-N
MW277.32 g/mol
LogP1.55
Rot. Bonds3

About benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate

benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate (PubChem CID 59305246) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
PubChem CID59305246
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(O)([C@H]2CO2)CC1
InChIInChI=1S/C15H19NO4/c17-14(20-10-12-4-2-1-3-5-12)16-8-6-15(18,7-9-16)13-11-19-13/h1-5,13,18H,6-11H2/t13-/m1/s1
InChIKeyOKYRPQQHZWCARA-CYBMUJFWSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

benzyl 3,4-dihydroxy-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 58138456
benzyl 4-cyclopropyl-4-hydroxyazocane-1-carboxylate
CID 122530664
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170907398
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate (CID 59305246) is benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(O)([C@H]2CO2)CC1.
What is the InChIKey of benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
The InChIKey is OKYRPQQHZWCARA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(20-10-12-4-2-1-3-5-12)16-8-6-15(18,7-9-16)13-11-19-13/h1-5,13,18H,6-11H2/t13-/m1/s1.
What are the key properties of benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59305246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).