tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate

C16H29FN2O2 — CID 58804072

IUPACtert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate
SMILESCCN(CC)CC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29FN2O2/c1-6-18(7-2)12-14(17)13-8-10-19(11-9-13)15(20)21-16(3,4)5/h6-12H2,1-5H3
InChIKeyIDDRAOYMHDNNLE-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate

tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate (PubChem CID 58804072) has the molecular formula C16H29FN2O2 and a molecular weight of 300.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate
PubChem CID58804072
Molecular FormulaC16H29FN2O2
Molecular Weight300.42 g/mol
Exact Mass300.22
IUPAC Nametert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate
SMILESCCN(CC)CC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29FN2O2/c1-6-18(7-2)12-14(17)13-8-10-19(11-9-13)15(20)21-16(3,4)5/h6-12H2,1-5H3
InChIKeyIDDRAOYMHDNNLE-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate (CID 58804072) is tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate is CCN(CC)CC(F)=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
The InChIKey is IDDRAOYMHDNNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O2/c1-6-18(7-2)12-14(17)13-8-10-19(11-9-13)15(20)21-16(3,4)5/h6-12H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate?
tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate has a molecular weight of 300.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(diethylamino)-1-fluoroethylidene]piperidine-1-carboxylate is sourced from PubChem (CID 58804072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).