tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate

C19H32N2O2 — CID 104956449

IUPACtert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
SMILESCC1(NCC2CC3C=CC2C3)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H32N2O2/c1-18(2,3)23-17(22)21-9-7-19(4,8-10-21)20-13-16-12-14-5-6-15(16)11-14/h5-6,14-16,20H,7-13H2,1-4H3
InChIKeyLLDXSENHZQDBMY-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate (PubChem CID 104956449) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
PubChem CID104956449
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
SMILESCC1(NCC2CC3C=CC2C3)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H32N2O2/c1-18(2,3)23-17(22)21-9-7-19(4,8-10-21)20-13-16-12-14-5-6-15(16)11-14/h5-6,14-16,20H,7-13H2,1-4H3
InChIKeyLLDXSENHZQDBMY-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.58
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 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate
CID 103745434
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
CID 107254396
tert-butyl 4-(heptylamino)-4-methylpiperidine-1-carboxylate
CID 107254416
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 104956422
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyloxolan-3-amine
CID 115768843
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107254388
tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 107240495
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-[(3-hydroxyphenyl)methylamino]-4-methylpiperidine-1-carboxylate
CID 104956392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate (CID 104956449) is tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate is CC1(NCC2CC3C=CC2C3)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate?
The InChIKey is LLDXSENHZQDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)23-17(22)21-9-7-19(4,8-10-21)20-13-16-12-14-5-6-15(16)11-14/h5-6,14-16,20H,7-13H2,1-4H3.
What are the key properties of tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate has a molecular weight of 320.48 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 104956449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).