tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate

C15H24FNO2 — CID 163787093

IUPACtert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
SMILESC=C1CN(C(=O)OC(C)(C)C)CC/C1=C/CC(C)F
InChIInChI=1S/C15H24FNO2/c1-11-10-17(14(18)19-15(3,4)5)9-8-13(11)7-6-12(2)16/h7,12H,1,6,8-10H2,2-5H3/b13-7-
InChIKeyMTMAKXVAZMXPLI-QPEQYQDCSA-N
MW269.36 g/mol
LogP3.86
Rot. Bonds2

About tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate

tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate (PubChem CID 163787093) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
PubChem CID163787093
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Nametert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
SMILESC=C1CN(C(=O)OC(C)(C)C)CC/C1=C/CC(C)F
InChIInChI=1S/C15H24FNO2/c1-11-10-17(14(18)19-15(3,4)5)9-8-13(11)7-6-12(2)16/h7,12H,1,6,8-10H2,2-5H3/b13-7-
InChIKeyMTMAKXVAZMXPLI-QPEQYQDCSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylene-piperidine-1-carboxylic acid tert-butyl ester
CID 11252594
Tert-butyl 3-fluoro-4-methylenepiperidine-1-carboxylate
CID 53302091
tert-butyl 4-[(E)-3-fluoroprop-1-enyl]piperidine-1-carboxylate
CID 134956364
Tert-butyl 4-(2-methylprop-1-enyl)piperidine-1-carboxylate
CID 176434249
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
Tert-butyl 3-methylidene-2,6-dihydropyridine-1-carboxylate
CID 68076879
4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403
n-Boc-tetrahydroisoquinoline
CID 69486429
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754607
tert-butyl 4-(Trifluoromethyl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 53880226
Tert-butyl 4-(1-fluoroprop-2-enylidene)piperidine-1-carboxylate
CID 57741959
Tert-butyl 4-(2-(diethylamino)-1-fluoroethylidene)piperidine-1-carboxylate
CID 58804072

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate (CID 163787093) is tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate is C=C1CN(C(=O)OC(C)(C)C)CC/C1=C/CC(C)F.
What is the InChIKey of tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate?
The InChIKey is MTMAKXVAZMXPLI-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11-10-17(14(18)19-15(3,4)5)9-8-13(11)7-6-12(2)16/h7,12H,1,6,8-10H2,2-5H3/b13-7-.
What are the key properties of tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate?
tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate has a molecular weight of 269.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate is sourced from PubChem (CID 163787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).