tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate

C15H29N3O2 — CID 107243480

IUPACtert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCNC2CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-11-9-17(10-12-18)8-4-7-16-13-5-6-13/h13,16H,4-12H2,1-3H3
InChIKeyXVLYVAZKFDKEMR-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds5

About tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate

tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate (PubChem CID 107243480) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
PubChem CID107243480
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCNC2CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-11-9-17(10-12-18)8-4-7-16-13-5-6-13/h13,16H,4-12H2,1-3H3
InChIKeyXVLYVAZKFDKEMR-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate
CID 103578415
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
CID 107267903
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
CID 107243510
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-[3-(1,1-difluoropropan-2-ylamino)propyl]piperazine-1-carboxylate
CID 107243499
tert-butyl 4-[3-(2-ethylbutylamino)propyl]piperazine-1-carboxylate
CID 107243487
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate (CID 107243480) is tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCNC2CC2)CC1.
What is the InChIKey of tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate?
The InChIKey is XVLYVAZKFDKEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-11-9-17(10-12-18)8-4-7-16-13-5-6-13/h13,16H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 107243480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).