5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine

C17H34N2O — CID 64859759

IUPAC5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1(C)CNC(C2CC2)CN1CCOCCC(C)C
InChIInChI=1S/C17H34N2O/c1-5-17(4)13-18-16(15-6-7-15)12-19(17)9-11-20-10-8-14(2)3/h14-16,18H,5-13H2,1-4H3
InChIKeyLHPGOWWTBHMPDU-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds8

About 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine

5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 64859759) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID64859759
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1(C)CNC(C2CC2)CN1CCOCCC(C)C
InChIInChI=1S/C17H34N2O/c1-5-17(4)13-18-16(15-6-7-15)12-19(17)9-11-20-10-8-14(2)3/h14-16,18H,5-13H2,1-4H3
InChIKeyLHPGOWWTBHMPDU-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
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

5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64860926
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 103184536
5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
CID 113474592
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine
CID 103184494
5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106733294
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
2,5-diethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184518
5-cyclohexyl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861356
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64843727
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine (CID 64859759) is 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine is CCC1(C)CNC(C2CC2)CN1CCOCCC(C)C.
What is the InChIKey of 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is LHPGOWWTBHMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-17(4)13-18-16(15-6-7-15)12-19(17)9-11-20-10-8-14(2)3/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine has a molecular weight of 282.47 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 5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 64859759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).