tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate

C13H27N3O2 — CID 155978007

IUPACtert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate
SMILESCC1(C)CN(CCNC(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C13H27N3O2/c1-12(2,3)18-11(17)14-6-8-16-9-7-15-13(4,5)10-16/h15H,6-10H2,1-5H3,(H,14,17)
InChIKeyOCCJZBFLJVCSID-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.19
Rot. Bonds3

About tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate

tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate (PubChem CID 155978007) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate
PubChem CID155978007
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate
SMILESCC1(C)CN(CCNC(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C13H27N3O2/c1-12(2,3)18-11(17)14-6-8-16-9-7-15-13(4,5)10-16/h15H,6-10H2,1-5H3,(H,14,17)
InChIKeyOCCJZBFLJVCSID-UHFFFAOYSA-N
XLogP1.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
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2-[9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 170976425
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
CID 19420462
tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate
CID 142330523
tert-butyl N-[2-(6-amino-1-methyl-1,4-diazepan-6-yl)ethyl]carbamate
CID 143373564
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
CID 117274207
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate (CID 155978007) is tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate is CC1(C)CN(CCNC(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is OCCJZBFLJVCSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,3)18-11(17)14-6-8-16-9-7-15-13(4,5)10-16/h15H,6-10H2,1-5H3,(H,14,17).
What are the key properties of tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 155978007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).