(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone

C14H20N2O — CID 116919783

IUPAC(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CN(C)CCN2)cc1
InChIInChI=1S/C14H20N2O/c1-3-11-4-6-12(7-5-11)14(17)13-10-16(2)9-8-15-13/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyNUQRKQPRSISEIX-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.34
Rot. Bonds3

About (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone

(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone (PubChem CID 116919783) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone
PubChem CID116919783
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CN(C)CCN2)cc1
InChIInChI=1S/C14H20N2O/c1-3-11-4-6-12(7-5-11)14(17)13-10-16(2)9-8-15-13/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyNUQRKQPRSISEIX-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methylpiperazin-2-yl]-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 99738265
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
(2-methoxy-5-methylphenyl)-(4-methylpiperazin-2-yl)methanone
CID 116919795
N,4-dimethyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 115178084
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-ethylphenyl)methanone
CID 74881662
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001
2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578542
N-[(3-bromophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178038
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone (CID 116919783) is (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone is CCc1ccc(C(=O)C2CN(C)CCN2)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone?
The InChIKey is NUQRKQPRSISEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-11-4-6-12(7-5-11)14(17)13-10-16(2)9-8-15-13/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone?
(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 116919783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).