ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate

C15H24N2O2 — CID 98108430

IUPACethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C15H24N2O2/c1-2-19-15(18)17-7-5-16(6-8-17)11-14-10-12-3-4-13(14)9-12/h3-4,12-14H,2,5-11H2,1H3/t12-,13-,14-/m0/s1
InChIKeyJUJFEVRIUSAAGS-IHRRRGAJSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds3

About ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate

ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate (PubChem CID 98108430) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate
PubChem CID98108430
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C15H24N2O2/c1-2-19-15(18)17-7-5-16(6-8-17)11-14-10-12-3-4-13(14)9-12/h3-4,12-14H,2,5-11H2,1H3/t12-,13-,14-/m0/s1
InChIKeyJUJFEVRIUSAAGS-IHRRRGAJSA-N
XLogP1.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

(2R)-1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 129320824
1-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 99721298
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide
CID 98109364
[4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 98194660
[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 18389439
1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfonylpiperazine
CID 7221368
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazine
CID 6593197
[4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 129393526
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
CID 139403732
CID 58181055
CID 58181055
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
CID 70657726

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate (CID 98108430) is ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1.
What is the InChIKey of ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate?
The InChIKey is JUJFEVRIUSAAGS-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15(18)17-7-5-16(6-8-17)11-14-10-12-3-4-13(14)9-12/h3-4,12-14H,2,5-11H2,1H3/t12-,13-,14-/m0/s1.
What are the key properties of ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate?
ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 98108430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).