tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate

C18H30N2O2 — CID 103745434

IUPACtert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20-8-4-5-16(12-20)19-11-15-10-13-6-7-14(15)9-13/h6-7,13-16,19H,4-5,8-12H2,1-3H3
InChIKeyRBXRHTOWNXDPRL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate

tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate (PubChem CID 103745434) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate
PubChem CID103745434
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20-8-4-5-16(12-20)19-11-15-10-13-6-7-14(15)9-13/h6-7,13-16,19H,4-5,8-12H2,1-3H3
InChIKeyRBXRHTOWNXDPRL-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
CID 104956449
tert-butyl 3-[(2-methylcyclopentyl)methylamino]pyrrolidine-1-carboxylate
CID 107416977
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-(1,4-dithian-2-ylmethylamino)piperidine-1-carboxylate
CID 115972538
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103949341
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
CID 164579162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate (CID 103745434) is tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NCC2CC3C=CC2C3)C1.
What is the InChIKey of tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate?
The InChIKey is RBXRHTOWNXDPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20-8-4-5-16(12-20)19-11-15-10-13-6-7-14(15)9-13/h6-7,13-16,19H,4-5,8-12H2,1-3H3.
What are the key properties of tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate?
tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate has a molecular weight of 306.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 103745434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).