tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine

C17H36N4O2 — CID 143162791

IUPACtert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine
SMILESCC1CNC(C)CN1.CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)12-9-5-7-13(4)8-6-9;1-5-3-8-6(2)4-7-5/h9H,5-8H2,1-4H3,(H,12,14);5-8H,3-4H2,1-2H3
InChIKeyMBGPWJQCTAHWRB-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine

tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine (PubChem CID 143162791) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine.

Molecular Properties

Compound Nametert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine
PubChem CID143162791
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Nametert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine
SMILESCC1CNC(C)CN1.CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)12-9-5-7-13(4)8-6-9;1-5-3-8-6(2)4-7-5/h9H,5-8H2,1-4H3,(H,12,14);5-8H,3-4H2,1-2H3
InChIKeyMBGPWJQCTAHWRB-UHFFFAOYSA-N
XLogP1.56
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
tert-butyl N-(6-methylpiperidin-3-yl)carbamate
CID 42609251
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine?
The IUPAC name of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine (CID 143162791) is tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine.
What is the SMILES notation for tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine?
The canonical SMILES for tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine is CC1CNC(C)CN1.CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine?
The InChIKey is MBGPWJQCTAHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)12-9-5-7-13(4)8-6-9;1-5-3-8-6(2)4-7-5/h9H,5-8H2,1-4H3,(H,12,14);5-8H,3-4H2,1-2H3.
What are the key properties of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine?
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine has a molecular weight of 328.50 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methylpiperidin-4-yl)carbamate;2,5-dimethylpiperazine is sourced from PubChem (CID 143162791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).