(4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone

C14H22N2O — CID 118130275

IUPAC(4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone
SMILESCCN1CCN(C(=O)C2=CC=C(C)CC2)CC1
InChIInChI=1S/C14H22N2O/c1-3-15-8-10-16(11-9-15)14(17)13-6-4-12(2)5-7-13/h4,6H,3,5,7-11H2,1-2H3
InChIKeyZWYKSAFJXFZONN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.82
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone

(4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone (PubChem CID 118130275) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone
PubChem CID118130275
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone
SMILESCCN1CCN(C(=O)C2=CC=C(C)CC2)CC1
InChIInChI=1S/C14H22N2O/c1-3-15-8-10-16(11-9-15)14(17)13-6-4-12(2)5-7-13/h4,6H,3,5,7-11H2,1-2H3
InChIKeyZWYKSAFJXFZONN-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone (CID 118130275) is (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone is CCN1CCN(C(=O)C2=CC=C(C)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The InChIKey is ZWYKSAFJXFZONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-8-10-16(11-9-15)14(17)13-6-4-12(2)5-7-13/h4,6H,3,5,7-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
(4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone has a molecular weight of 234.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone is sourced from PubChem (CID 118130275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).