benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane

C17H25NO3 — CID 145307834

IUPACbenzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CCC(C2CO2)CC1
InChIInChI=1S/C15H19NO3.C2H6/c17-15(19-10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)14-11-18-14;1-2/h1-5,13-14H,6-11H2;1-2H3
InChIKeyOJMCWDVUTFFHHT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.46
Rot. Bonds3

About benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane

benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane (PubChem CID 145307834) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Namebenzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
PubChem CID145307834
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebenzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CCC(C2CO2)CC1
InChIInChI=1S/C15H19NO3.C2H6/c17-15(19-10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)14-11-18-14;1-2/h1-5,13-14H,6-11H2;1-2H3
InChIKeyOJMCWDVUTFFHHT-UHFFFAOYSA-N
XLogP3.46
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 77454626
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benzyl 3-methylpyrrolidine-1-carboxylate;ethane
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benzyl 4-bromopiperidine-1-carboxylate
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CID 54127697
benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
CID 160872893
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate
CID 146316204
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane (CID 145307834) is benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane is CC.O=C(OCc1ccccc1)N1CCC(C2CO2)CC1.
What is the InChIKey of benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane?
The InChIKey is OJMCWDVUTFFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.C2H6/c17-15(19-10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)14-11-18-14;1-2/h1-5,13-14H,6-11H2;1-2H3.
What are the key properties of benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane?
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane has a molecular weight of 291.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 145307834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).