tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate

C13H26N2O2 — CID 134791338

IUPACtert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
SMILESCCCC1CN(C(=O)OC(C)(C)C)C(C)CN1
InChIInChI=1S/C13H26N2O2/c1-6-7-11-9-15(10(2)8-14-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyOCCREMLTJZAPHO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate

tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate (PubChem CID 134791338) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
PubChem CID134791338
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
SMILESCCCC1CN(C(=O)OC(C)(C)C)C(C)CN1
InChIInChI=1S/C13H26N2O2/c1-6-7-11-9-15(10(2)8-14-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyOCCREMLTJZAPHO-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
CID 123813645
tert-butyl (2R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CID 175579571
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
tert-butyl (2R,5R)-5-cyano-2-methylpiperazine-1-carboxylate
CID 172908127
tert-butyl (2R)-6-hydroxy-2-methyl-5-propylazepane-1-carboxylate
CID 170031405
tert-butyl (2S)-2-ethyl-5-methylpiperazine-1-carboxylate
CID 175596184
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate
CID 167526941
tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate
CID 130927966
tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
CID 99991642
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate (CID 134791338) is tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate is CCCC1CN(C(=O)OC(C)(C)C)C(C)CN1.
What is the InChIKey of tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate?
The InChIKey is OCCREMLTJZAPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-7-11-9-15(10(2)8-14-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate?
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate is sourced from PubChem (CID 134791338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).