(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine

C15H28FN — CID 158856151

IUPAC(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine
SMILESC/C(F)=C1\CCN(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C15H28FN/c1-11(16)12-8-9-17(15(5,6)7)13(10-12)14(2,3)4/h13H,8-10H2,1-7H3/b12-11-
InChIKeyPUMQRSDDWMGISJ-QXMHVHEDSA-N
MW241.39 g/mol
LogP4.54
Rot. Bonds

About (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine

(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine (PubChem CID 158856151) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine.

Molecular Properties

Compound Name(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine
PubChem CID158856151
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine
SMILESC/C(F)=C1\CCN(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C15H28FN/c1-11(16)12-8-9-17(15(5,6)7)13(10-12)14(2,3)4/h13H,8-10H2,1-7H3/b12-11-
InChIKeyPUMQRSDDWMGISJ-QXMHVHEDSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Ditert-butyl-4-(difluoromethylidene)piperidine
CID 153289848
(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
CID 166970164
2-Tert-butyl-5-(difluoromethylidene)-1-propan-2-ylpiperidine
CID 171756211
2-Tert-butyl-4-(difluoromethylidene)-1-propan-2-ylpiperidine
CID 172103629
1,2,5,6-tetratert-butyl-4-fluoro-3,4-dihydro-2H-pyridine
CID 172171245
1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 172515516
(5E)-1,2-ditert-butyl-5-(1-fluoroethylidene)azepane
CID 175612271
6-Fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829614
9-Fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176829800
2-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829939
10-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176830002
6-Fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene
CID 177161789

Frequently Asked Questions

What is the IUPAC name of (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine?
The IUPAC name of (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine (CID 158856151) is (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine.
What is the SMILES notation for (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine?
The canonical SMILES for (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine is C/C(F)=C1\CCN(C(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine?
The InChIKey is PUMQRSDDWMGISJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H28FN/c1-11(16)12-8-9-17(15(5,6)7)13(10-12)14(2,3)4/h13H,8-10H2,1-7H3/b12-11-.
What are the key properties of (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine?
(4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine has a molecular weight of 241.39 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,2-ditert-butyl-4-(1-fluoroethylidene)piperidine is sourced from PubChem (CID 158856151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).