tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate

C17H32N2O3 — CID 103769123

IUPACtert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate
SMILESC=C(C)COCCNCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-14(2)13-21-10-8-18-11-15-7-6-9-19(12-15)16(20)22-17(3,4)5/h15,18H,1,6-13H2,2-5H3
InChIKeyTVBSWERGZHHBQV-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.82
Rot. Bonds7

About tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate (PubChem CID 103769123) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate
PubChem CID103769123
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate
SMILESC=C(C)COCCNCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-14(2)13-21-10-8-18-11-15-7-6-9-19(12-15)16(20)22-17(3,4)5/h15,18H,1,6-13H2,2-5H3
InChIKeyTVBSWERGZHHBQV-UHFFFAOYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 3-[(1-ethoxypropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 78995197
Tert-butyl 3-[(2-ethoxyethylamino)methyl]piperidine-1-carboxylate
CID 78995650
Tert-butyl 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate
CID 103769130
Tert-butyl 3-[(2-but-3-enoxyethylamino)methyl]piperidine-1-carboxylate
CID 103854585
tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]methyl]carbamate
CID 103949407
Tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate
CID 103949408
Tert-butyl 3-[(2-propan-2-yloxyethylamino)methyl]piperidine-1-carboxylate
CID 104588138
Tert-butyl 3-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate
CID 104931895
Tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 104985120
Tert-butyl 2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate
CID 106634500
tert-butyl N-[3-methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butyl]carbamate
CID 107442859
Tert-butyl 3-[(2-ethoxypropylamino)methyl]piperidine-1-carboxylate
CID 115655641

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate (CID 103769123) is tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate is C=C(C)COCCNCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate?
The InChIKey is TVBSWERGZHHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-14(2)13-21-10-8-18-11-15-7-6-9-19(12-15)16(20)22-17(3,4)5/h15,18H,1,6-13H2,2-5H3.
What are the key properties of tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103769123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).