2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine

C16H34N2O — CID 64849149

IUPAC2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
SMILESCCC1(CC)CNC(CC(C)C)CN1CCCOC
InChIInChI=1S/C16H34N2O/c1-6-16(7-2)13-17-15(11-14(3)4)12-18(16)9-8-10-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyKSVKLERAPKMFAO-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine

2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine (PubChem CID 64849149) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
PubChem CID64849149
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
SMILESCCC1(CC)CNC(CC(C)C)CN1CCCOC
InChIInChI=1S/C16H34N2O/c1-6-16(7-2)13-17-15(11-14(3)4)12-18(16)9-8-10-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyKSVKLERAPKMFAO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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

2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 103184536
2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64847994
1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
CID 107897984
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64843727
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
2-ethyl-2-methyl-5-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64848952
2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
CID 64839848
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 80697725

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine (CID 64849149) is 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine is CCC1(CC)CNC(CC(C)C)CN1CCCOC.
What is the InChIKey of 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine?
The InChIKey is KSVKLERAPKMFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-16(7-2)13-17-15(11-14(3)4)12-18(16)9-8-10-19-5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine?
2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64849149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).