tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate

C15H24N2O2 — CID 144773835

IUPACtert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate
SMILESC=C/C=C(\N=C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2/c1-6-7-13(16-5)12-8-10-17(11-9-12)14(18)19-15(2,3)4/h6-7,12H,1,5,8-11H2,2-4H3/b13-7-
InChIKeySBBCSCJUTTZLCG-QPEQYQDCSA-N
MW264.37 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate

tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate (PubChem CID 144773835) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate
PubChem CID144773835
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate
SMILESC=C/C=C(\N=C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2/c1-6-7-13(16-5)12-8-10-17(11-9-12)14(18)19-15(2,3)4/h6-7,12H,1,5,8-11H2,2-4H3/b13-7-
InChIKeySBBCSCJUTTZLCG-QPEQYQDCSA-N
XLogP3.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 134982303
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(methylideneamino)piperazine-1-carboxylate
CID 155157798
tert-butyl 4-prop-2-ynoylpiperidine-1-carboxylate
CID 165470903
tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate
CID 124908663
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
tert-butyl 4-(2-iminoacetyl)piperidine-1-carboxylate
CID 91577025
tert-butyl 4-(N-methyl-C-methylsulfanylcarbonimidoyl)piperidine-1-carboxylate
CID 134357901
tert-butyl (3S)-3-pent-4-enoylpyrrolidine-1-carboxylate
CID 165468774
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
trifluoro-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azaniumyl]methyl]boranuide
CID 102457603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate (CID 144773835) is tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate is C=C/C=C(\N=C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate?
The InChIKey is SBBCSCJUTTZLCG-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-7-13(16-5)12-8-10-17(11-9-12)14(18)19-15(2,3)4/h6-7,12H,1,5,8-11H2,2-4H3/b13-7-.
What are the key properties of tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate?
tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate is sourced from PubChem (CID 144773835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).