tert-butyl (3S)-3-methylpiperazine-1-carboxylate

C10H20N2O2 — CID 7023035

IUPACtert-butyl (3S)-3-methylpiperazine-1-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFMLPQHJYUZTHQS-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds

About tert-butyl (3S)-3-methylpiperazine-1-carboxylate

tert-butyl (3S)-3-methylpiperazine-1-carboxylate (PubChem CID 7023035) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl (3S)-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-methylpiperazine-1-carboxylate
PubChem CID7023035
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl (3S)-3-methylpiperazine-1-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFMLPQHJYUZTHQS-QMMMGPOBSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-Boc-piperidine
CID 1268291
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
tert-Butyl piperazine-1-carboxylate
CID 143452
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
1-(2-N-Boc-aminoethyl)piperazine
CID 1514401
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-methylpiperazine-1-carboxylate (CID 7023035) is tert-butyl (3S)-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-methylpiperazine-1-carboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl (3S)-3-methylpiperazine-1-carboxylate?
The InChIKey is FMLPQHJYUZTHQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (3S)-3-methylpiperazine-1-carboxylate?
tert-butyl (3S)-3-methylpiperazine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 7023035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).