tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate

C14H28N2O2 — CID 170288316

IUPACtert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)CCN1C(C)C
InChIInChI=1S/C14H28N2O2/c1-7-12-10-15(8-9-16(12)11(2)3)13(17)18-14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyUMRJBZYXHCVIGM-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds2

About tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate

tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 170288316) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
PubChem CID170288316
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)CCN1C(C)C
InChIInChI=1S/C14H28N2O2/c1-7-12-10-15(8-9-16(12)11(2)3)13(17)18-14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyUMRJBZYXHCVIGM-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[bis(4-fluorophenyl)methyl]-3-ethylpiperazine-1-carboxylate
CID 175111260
tert-butyl (3S)-4-carbonochloridoyl-3-ethylpiperazine-1-carboxylate
CID 87713865
tert-butyl (3R)-3-ethyl-4-methylsulfonylpiperazine-1-carboxylate
CID 174602342
tert-butyl 3-ethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 154652517
1-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl 4-methyl-3-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 137498981
4-[[2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088591
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate (CID 170288316) is tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate is CCC1CN(C(=O)OC(C)(C)C)CCN1C(C)C.
What is the InChIKey of tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is UMRJBZYXHCVIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-12-10-15(8-9-16(12)11(2)3)13(17)18-14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 170288316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).