tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate

C20H41N3O2 — CID 121362451

IUPACtert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate
SMILESCC(C)CN(CCCN1CCN(C(=O)OC(C)(C)C)CC1)CC(C)C
InChIInChI=1S/C20H41N3O2/c1-17(2)15-22(16-18(3)4)10-8-9-21-11-13-23(14-12-21)19(24)25-20(5,6)7/h17-18H,8-16H2,1-7H3
InChIKeyOSBTVYAQGOXYLT-UHFFFAOYSA-N
MW355.57 g/mol
LogP3.54
Rot. Bonds8

About tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate

tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate (PubChem CID 121362451) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate
PubChem CID121362451
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Nametert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate
SMILESCC(C)CN(CCCN1CCN(C(=O)OC(C)(C)C)CC1)CC(C)C
InChIInChI=1S/C20H41N3O2/c1-17(2)15-22(16-18(3)4)10-8-9-21-11-13-23(14-12-21)19(24)25-20(5,6)7/h17-18H,8-16H2,1-7H3
InChIKeyOSBTVYAQGOXYLT-UHFFFAOYSA-N
XLogP3.54
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-[2-(dimethylamino)ethyl]-1,4-diazepane-1-carboxylate
CID 176806608
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propane-1-sulfinic acid
CID 58575809
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate;oxalic acid
CID 134129754
tert-butyl 4-[2-(5-methylhexan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 107243559
tert-butyl 4-[3-(1,1-difluoropropan-2-ylamino)propyl]piperazine-1-carboxylate
CID 107243499
tert-butyl 4-[3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 110979190
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-[3-[3-(2-methylpropoxy)propanoylamino]propyl]piperazine-1-carboxylate
CID 55867055

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate (CID 121362451) is tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate is CC(C)CN(CCCN1CCN(C(=O)OC(C)(C)C)CC1)CC(C)C.
What is the InChIKey of tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate?
The InChIKey is OSBTVYAQGOXYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O2/c1-17(2)15-22(16-18(3)4)10-8-9-21-11-13-23(14-12-21)19(24)25-20(5,6)7/h17-18H,8-16H2,1-7H3.
What are the key properties of tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate?
tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate has a molecular weight of 355.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[bis(2-methylpropyl)amino]propyl]piperazine-1-carboxylate is sourced from PubChem (CID 121362451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).