2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate

C13H27N3O2 — CID 43252434

IUPAC2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)10-18-13(17)16-6-4-15(5-7-16)9-12(3)8-14/h11-12H,4-10,14H2,1-3H3
InChIKeyGYKPTSKYPGMWTG-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.99
Rot. Bonds5

About 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate

2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate (PubChem CID 43252434) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
PubChem CID43252434
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)10-18-13(17)16-6-4-15(5-7-16)9-12(3)8-14/h11-12H,4-10,14H2,1-3H3
InChIKeyGYKPTSKYPGMWTG-UHFFFAOYSA-N
XLogP0.99
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
tert-butyl 4-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 43252008
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2-methylpropyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 58860505
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252432
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251953
ethyl 4-[2-(aminomethyl)-3-methylbutyl]piperazine-1-carboxylate
CID 107877808
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110911555
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82984066
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43251955
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate (CID 43252434) is 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(CC(C)CN)CC1.
What is the InChIKey of 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The InChIKey is GYKPTSKYPGMWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)10-18-13(17)16-6-4-15(5-7-16)9-12(3)8-14/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 43252434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).