2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine

C15H30N2O — CID 114191337

IUPAC2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine
SMILESCC1(C)CNCCN1CCCCC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-15(2)13-16-8-10-17(15)9-4-3-5-14-6-11-18-12-7-14/h14,16H,3-13H2,1-2H3
InChIKeySLEDSSOQZUOZOC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine

2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine (PubChem CID 114191337) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine
PubChem CID114191337
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine
SMILESCC1(C)CNCCN1CCCCC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-15(2)13-16-8-10-17(15)9-4-3-5-14-6-11-18-12-7-14/h14,16H,3-13H2,1-2H3
InChIKeySLEDSSOQZUOZOC-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine (CID 114191337) is 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine is CC1(C)CNCCN1CCCCC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine?
The InChIKey is SLEDSSOQZUOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2)13-16-8-10-17(15)9-4-3-5-14-6-11-18-12-7-14/h14,16H,3-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine?
2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine is sourced from PubChem (CID 114191337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).