tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate

C14H24F2N2O4 — CID 66760563

IUPACtert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate
SMILESCCOC(=O)C(F)(F)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24F2N2O4/c1-5-21-11(19)14(15,16)10-17-6-8-18(9-7-17)12(20)22-13(2,3)4/h5-10H2,1-4H3
InChIKeyBSUZGZKDSNSNPD-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.74
Rot. Bonds4

About tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate

tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate (PubChem CID 66760563) has the molecular formula C14H24F2N2O4 and a molecular weight of 322.35 g/mol. Its IUPAC name is tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate
PubChem CID66760563
Molecular FormulaC14H24F2N2O4
Molecular Weight322.35 g/mol
Exact Mass322.17
IUPAC Nametert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate
SMILESCCOC(=O)C(F)(F)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24F2N2O4/c1-5-21-11(19)14(15,16)10-17-6-8-18(9-7-17)12(20)22-13(2,3)4/h5-10H2,1-4H3
InChIKeyBSUZGZKDSNSNPD-UHFFFAOYSA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-(2,2-dimethylpropyl) 4-O-(1,1,1-trifluoro-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate
CID 11717340
Tert-butyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 58571501
Tert-butyl 4-(2,2-difluoro-3-methoxypropyl)piperazine-1-carboxylate
CID 66696088
Tert-butyl 4-(2,2-difluoro-3-methoxypropanoyl)piperazine-1-carboxylate
CID 66696120
Tert-butyl 4-[3-(trifluoromethoxy)propyl]piperazine-1-carboxylate
CID 89772446
Tert-butyl 4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909318
tert-butyl (3R)-4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909481
tert-butyl (3S)-4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909484
4-O-tert-butyl 1-O-(1,1,1-trifluoropropan-2-yl) piperazine-1,4-dicarboxylate
CID 135248755
tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate
CID 144867797
Tert-butyl 4-(3-fluorooxy-3-oxopropyl)piperazine-1-carboxylate
CID 144971805
Tert-butyl 4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxylate
CID 166085475

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate (CID 66760563) is tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate is CCOC(=O)C(F)(F)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate?
The InChIKey is BSUZGZKDSNSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O4/c1-5-21-11(19)14(15,16)10-17-6-8-18(9-7-17)12(20)22-13(2,3)4/h5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate has a molecular weight of 322.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 66760563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).