tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate

C12H25N3O2 — CID 53350324

IUPACtert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
SMILESCC(N)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKeyYRSSUIZMGOJGOZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds2

About tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate

tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate (PubChem CID 53350324) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
PubChem CID53350324
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
SMILESCC(N)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKeyYRSSUIZMGOJGOZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
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-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
tert-butyl 4-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 43252008
tert-butyl 4-(2,3-diamino-3-oxopropyl)-1,4-diazepane-1-carboxylate
CID 114518384
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate (CID 53350324) is tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate is CC(N)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate?
The InChIKey is YRSSUIZMGOJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(13)9-14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3.
What are the key properties of tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate?
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 53350324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).