tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate

C16H32N4O2 — CID 111063022

IUPACtert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
SMILESCN(C)C(=NCC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-10-8-13(9-11-20)12-17-14(18(4)5)19(6)7/h13H,8-12H2,1-7H3
InChIKeyUMXCUNQMDCDXRH-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate (PubChem CID 111063022) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
PubChem CID111063022
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
SMILESCN(C)C(=NCC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-10-8-13(9-11-20)12-17-14(18(4)5)19(6)7/h13H,8-12H2,1-7H3
InChIKeyUMXCUNQMDCDXRH-UHFFFAOYSA-N
XLogP2.11
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111063054
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736
tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111085918
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 91021061
tert-butyl 4-[2-[bis(dimethylamino)methylideneamino]ethyl]piperazine-1-carboxylate;hydroiodide
CID 111070957
tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103838891
tert-butyl 4-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111212044
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103730102
tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
CID 21087276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate (CID 111063022) is tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate is CN(C)C(=NCC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C.
What is the InChIKey of tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate?
The InChIKey is UMXCUNQMDCDXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-10-8-13(9-11-20)12-17-14(18(4)5)19(6)7/h13H,8-12H2,1-7H3.
What are the key properties of tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate has a molecular weight of 312.46 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 111063022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).