2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane

C18H30N2O — CID 178102155

IUPAC2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane
SMILESCC(C)C.CCc1ccc(N2CCN(CC=O)CC2)cc1
InChIInChI=1S/C14H20N2O.C4H10/c1-2-13-3-5-14(6-4-13)16-9-7-15(8-10-16)11-12-17;1-4(2)3/h3-6,12H,2,7-11H2,1H3;4H,1-3H3
InChIKeyYPVFFUJKEHIURJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane

2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane (PubChem CID 178102155) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane
PubChem CID178102155
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane
SMILESCC(C)C.CCc1ccc(N2CCN(CC=O)CC2)cc1
InChIInChI=1S/C14H20N2O.C4H10/c1-2-13-3-5-14(6-4-13)16-9-7-15(8-10-16)11-12-17;1-4(2)3/h3-6,12H,2,7-11H2,1H3;4H,1-3H3
InChIKeyYPVFFUJKEHIURJ-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane?
The IUPAC name of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane (CID 178102155) is 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane.
What is the SMILES notation for 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane?
The canonical SMILES for 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane is CC(C)C.CCc1ccc(N2CCN(CC=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane?
The InChIKey is YPVFFUJKEHIURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C4H10/c1-2-13-3-5-14(6-4-13)16-9-7-15(8-10-16)11-12-17;1-4(2)3/h3-6,12H,2,7-11H2,1H3;4H,1-3H3.
What are the key properties of 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane?
2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane has a molecular weight of 290.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)piperazin-1-yl]acetaldehyde;2-methylpropane is sourced from PubChem (CID 178102155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).