tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate

C14H27N3O2 — CID 129462828

IUPACtert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2N)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-6-4-5-11(12)15/h11-12H,4-10,15H2,1-3H3/t11-,12-/m1/s1
InChIKeyCPAAPDJHETXHGX-VXGBXAGGSA-N
MW269.39 g/mol
LogP1.42
Rot. Bonds1

About tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate

tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate (PubChem CID 129462828) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
PubChem CID129462828
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2N)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-6-4-5-11(12)15/h11-12H,4-10,15H2,1-3H3/t11-,12-/m1/s1
InChIKeyCPAAPDJHETXHGX-VXGBXAGGSA-N
XLogP1.42
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepane-1-carboxylate
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tert-butyl 4-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate (CID 129462828) is tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2N)CC1.
What is the InChIKey of tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate?
The InChIKey is CPAAPDJHETXHGX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-6-4-5-11(12)15/h11-12H,4-10,15H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate?
tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate is sourced from PubChem (CID 129462828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).