1-butyl-4-methylpiperazine

C9H20N2 — CID 12566799

IUPAC1-butyl-4-methylpiperazine
SMILESCCCCN1CCN(C)CC1
InChIInChI=1S/C9H20N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-9H2,1-2H3
InChIKeyPKDQMOKKIZEPQO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.03
Rot. Bonds3

About 1-butyl-4-methylpiperazine

1-butyl-4-methylpiperazine (PubChem CID 12566799) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine.

Molecular Properties

Compound Name1-butyl-4-methylpiperazine
PubChem CID12566799
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-butyl-4-methylpiperazine
SMILESCCCCN1CCN(C)CC1
InChIInChI=1S/C9H20N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-9H2,1-2H3
InChIKeyPKDQMOKKIZEPQO-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine?
The IUPAC name of 1-butyl-4-methylpiperazine (CID 12566799) is 1-butyl-4-methylpiperazine.
What is the SMILES notation for 1-butyl-4-methylpiperazine?
The canonical SMILES for 1-butyl-4-methylpiperazine is CCCCN1CCN(C)CC1.
What is the InChIKey of 1-butyl-4-methylpiperazine?
The InChIKey is PKDQMOKKIZEPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-9H2,1-2H3.
What are the key properties of 1-butyl-4-methylpiperazine?
1-butyl-4-methylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperazine is sourced from PubChem (CID 12566799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).