butyl (2R)-2-methylpiperazine-1-carboxylate

C10H20N2O2 — CID 70918230

IUPACbutyl (2R)-2-methylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-10(13)12-6-5-11-8-9(12)2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyHRUPRXGLDQMOBY-SECBINFHSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds3

About butyl (2R)-2-methylpiperazine-1-carboxylate

butyl (2R)-2-methylpiperazine-1-carboxylate (PubChem CID 70918230) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl (2R)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl (2R)-2-methylpiperazine-1-carboxylate
PubChem CID70918230
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl (2R)-2-methylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-10(13)12-6-5-11-8-9(12)2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyHRUPRXGLDQMOBY-SECBINFHSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
butyl 2-(2-methoxyethyl)piperazine-1-carboxylate
CID 67677495
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334
butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 94984333
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate
CID 175378357
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 50999951
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038

Frequently Asked Questions

What is the IUPAC name of butyl (2R)-2-methylpiperazine-1-carboxylate?
The IUPAC name of butyl (2R)-2-methylpiperazine-1-carboxylate (CID 70918230) is butyl (2R)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for butyl (2R)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for butyl (2R)-2-methylpiperazine-1-carboxylate is CCCCOC(=O)N1CCNC[C@H]1C.
What is the InChIKey of butyl (2R)-2-methylpiperazine-1-carboxylate?
The InChIKey is HRUPRXGLDQMOBY-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-7-14-10(13)12-6-5-11-8-9(12)2/h9,11H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of butyl (2R)-2-methylpiperazine-1-carboxylate?
butyl (2R)-2-methylpiperazine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 70918230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).