butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2 — CID 58861614

IUPACbutyl 3-methylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNC(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-10(13)12-6-5-11-9(2)8-12/h9,11H,3-8H2,1-2H3
InChIKeyNWYLVUYHTUVIBD-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds3

About butyl 3-methylpiperazine-1-carboxylate

butyl 3-methylpiperazine-1-carboxylate (PubChem CID 58861614) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl 3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-methylpiperazine-1-carboxylate
PubChem CID58861614
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl 3-methylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNC(C)C1
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-10(13)12-6-5-11-9(2)8-12/h9,11H,3-8H2,1-2H3
InChIKeyNWYLVUYHTUVIBD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of butyl 3-methylpiperazine-1-carboxylate?
The IUPAC name of butyl 3-methylpiperazine-1-carboxylate (CID 58861614) is butyl 3-methylpiperazine-1-carboxylate.
What is the SMILES notation for butyl 3-methylpiperazine-1-carboxylate?
The canonical SMILES for butyl 3-methylpiperazine-1-carboxylate is CCCCOC(=O)N1CCNC(C)C1.
What is the InChIKey of butyl 3-methylpiperazine-1-carboxylate?
The InChIKey is NWYLVUYHTUVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-7-14-10(13)12-6-5-11-9(2)8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of butyl 3-methylpiperazine-1-carboxylate?
butyl 3-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 3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 58861614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).