2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate

C12H23N3O2 — CID 66203506

IUPAC2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(2)9-17-12(16)15-5-3-14(4-6-15)11-7-13-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyMNVKPTXGHLEDEZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.37
Rot. Bonds3

About 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate

2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate (PubChem CID 66203506) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate
PubChem CID66203506
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(2)9-17-12(16)15-5-3-14(4-6-15)11-7-13-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyMNVKPTXGHLEDEZ-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
CID 142778163
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150
4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane
CID 166115656
2-methylpropyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 58860505
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
CID 142773340
2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252434

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate (CID 66203506) is 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate?
The InChIKey is MNVKPTXGHLEDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(2)9-17-12(16)15-5-3-14(4-6-15)11-7-13-8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate?
2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(azetidin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 66203506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).