tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate

C14H28N2O2 — CID 162409269

IUPACtert-butyl 3-butyl-4-methylpiperazine-1-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)CCN1C
InChIInChI=1S/C14H28N2O2/c1-6-7-8-12-11-16(10-9-15(12)5)13(17)18-14(2,3)4/h12H,6-11H2,1-5H3
InChIKeyYBRRIBZGMRSJNL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate

tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate (PubChem CID 162409269) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-butyl-4-methylpiperazine-1-carboxylate
PubChem CID162409269
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 3-butyl-4-methylpiperazine-1-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)CCN1C
InChIInChI=1S/C14H28N2O2/c1-6-7-8-12-11-16(10-9-15(12)5)13(17)18-14(2,3)4/h12H,6-11H2,1-5H3
InChIKeyYBRRIBZGMRSJNL-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-BOC-3-Aminopiperidine
CID 545809
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
N-(tert-butoxycarbonyl)piperidine
CID 7010304
(S)-(+)-N-(Boc)-2-methylpiperidine
CID 11019870
tert-butyl N-cyclohexyl-N-methylcarbamate
CID 21797827
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
Tert-butyl 2-cyanopiperidine-1-carboxylate
CID 2756784
tert-Butyl 2-ethynylpiperidine-1-carboxylate
CID 15867081

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate (CID 162409269) is tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate is CCCCC1CN(C(=O)OC(C)(C)C)CCN1C.
What is the InChIKey of tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate?
The InChIKey is YBRRIBZGMRSJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-8-12-11-16(10-9-15(12)5)13(17)18-14(2,3)4/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate?
tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-butyl-4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 162409269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).