tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate

C14H26N4O2 — CID 155281905

IUPACtert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate
SMILES[H]/N=C(N)/C=C\NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)20-13(19)18-8-5-11(6-9-18)10-17-7-4-12(15)16/h4,7,11,17H,5-6,8-10H2,1-3H3,(H3,15,16)/b7-4-
InChIKeyITGUYAMTUYGDIG-DAXSKMNVSA-N
MW282.39 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 155281905) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate
PubChem CID155281905
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate
SMILES[H]/N=C(N)/C=C\NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)20-13(19)18-8-5-11(6-9-18)10-17-7-4-12(15)16/h4,7,11,17H,5-6,8-10H2,1-3H3,(H3,15,16)/b7-4-
InChIKeyITGUYAMTUYGDIG-DAXSKMNVSA-N
XLogP1.67
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(2-amino-2-iminoethyl)piperidine-1-carboxylate
CID 58257491
tert-butyl 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 79699892
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[(1-amino-2-bromo-2-iminoethylidene)amino]piperidine-1-carboxylate
CID 177224054
tert-butyl 4-[[(E)-1-amino-3-iminoprop-1-en-2-yl]oxymethyl]piperidine-1-carboxylate
CID 139457635
tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 78918218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate (CID 155281905) is tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate is [H]/N=C(N)/C=C\NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is ITGUYAMTUYGDIG-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,3)20-13(19)18-8-5-11(6-9-18)10-17-7-4-12(15)16/h4,7,11,17H,5-6,8-10H2,1-3H3,(H3,15,16)/b7-4-.
What are the key properties of tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[(Z)-3-amino-3-iminoprop-1-enyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 155281905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).