2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine

C16H34N2O2 — CID 103184494

IUPAC2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1CCOCCCOC
InChIInChI=1S/C16H34N2O2/c1-6-16(4)13-17-15(14(2)3)12-18(16)8-11-20-10-7-9-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyPGHMMLVDBYYHTO-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.14
Rot. Bonds9

About 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine

2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine (PubChem CID 103184494) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine
PubChem CID103184494
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1CCOCCCOC
InChIInChI=1S/C16H34N2O2/c1-6-16(4)13-17-15(14(2)3)12-18(16)8-11-20-10-7-9-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyPGHMMLVDBYYHTO-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2,5-diethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184518
2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine
CID 64839471
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64837904
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 107901484
5-butan-2-yl-1-(cyclopropylmethyl)-2-ethyl-2-methylpiperazine
CID 64849416
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
5-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)-2-methylpiperazine
CID 64848079
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine (CID 103184494) is 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine is CCC1(C)CNC(C(C)C)CN1CCOCCCOC.
What is the InChIKey of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is PGHMMLVDBYYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-6-16(4)13-17-15(14(2)3)12-18(16)8-11-20-10-7-9-19-5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine?
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 103184494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).