5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine

C18H30N2O — CID 64842706

IUPAC5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CCCOc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C18H30N2O/c1-4-16-14-20(18(13-19-16)15(2)3)11-8-12-21-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,4,8,11-14H2,1-3H3
InChIKeyJDEWCEVWKABUNP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.16
Rot. Bonds7

About 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine

5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine (PubChem CID 64842706) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
PubChem CID64842706
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CCCOc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C18H30N2O/c1-4-16-14-20(18(13-19-16)15(2)3)11-8-12-21-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,4,8,11-14H2,1-3H3
InChIKeyJDEWCEVWKABUNP-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.16
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

1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64840961
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64877844
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine (CID 64842706) is 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine is CCC1CN(CCCOc2ccccc2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
The InChIKey is JDEWCEVWKABUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-16-14-20(18(13-19-16)15(2)3)11-8-12-21-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,4,8,11-14H2,1-3H3.
What are the key properties of 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64842706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).