ethane;propan-2-yl piperazine-1-carboxylate

C10H22N2O2 — CID 142145252

IUPACethane;propan-2-yl piperazine-1-carboxylate
SMILESCC.CC(C)OC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2.C2H6/c1-7(2)12-8(11)10-5-3-9-4-6-10;1-2/h7,9H,3-6H2,1-2H3;1-2H3
InChIKeyPRVFCTJZUTUTMC-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.46
Rot. Bonds1

About ethane;propan-2-yl piperazine-1-carboxylate

ethane;propan-2-yl piperazine-1-carboxylate (PubChem CID 142145252) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;propan-2-yl piperazine-1-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl piperazine-1-carboxylate
PubChem CID142145252
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;propan-2-yl piperazine-1-carboxylate
SMILESCC.CC(C)OC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2.C2H6/c1-7(2)12-8(11)10-5-3-9-4-6-10;1-2/h7,9H,3-6H2,1-2H3;1-2H3
InChIKeyPRVFCTJZUTUTMC-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
benzhydryl piperazine-1-carboxylate
CID 69141758
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
2,2-dimethylhexan-3-yl piperazine-1-carboxylate
CID 175815633
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
CID 170432830
4-O-tert-butyl 1-O-propan-2-yl piperazine-1,4-dicarboxylate;formic acid
CID 142002254

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl piperazine-1-carboxylate?
The IUPAC name of ethane;propan-2-yl piperazine-1-carboxylate (CID 142145252) is ethane;propan-2-yl piperazine-1-carboxylate.
What is the SMILES notation for ethane;propan-2-yl piperazine-1-carboxylate?
The canonical SMILES for ethane;propan-2-yl piperazine-1-carboxylate is CC.CC(C)OC(=O)N1CCNCC1.
What is the InChIKey of ethane;propan-2-yl piperazine-1-carboxylate?
The InChIKey is PRVFCTJZUTUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-7(2)12-8(11)10-5-3-9-4-6-10;1-2/h7,9H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;propan-2-yl piperazine-1-carboxylate?
ethane;propan-2-yl piperazine-1-carboxylate has a molecular weight of 202.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl piperazine-1-carboxylate is sourced from PubChem (CID 142145252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).