1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

C14H20N2O — CID 19325375

IUPAC1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3
InChIKeyCMCBVCKQOHOWJO-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 19325375) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID19325375
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3
InChIKeyCMCBVCKQOHOWJO-UHFFFAOYSA-N
XLogP1.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tebutam
CID 92299
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
1-Benzyl-4-methyl-piperazine
CID 763557
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
3-Methylbenzylpiperazine
CID 79213
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
Piperidine, N-acetyl-4-benzyl-
CID 299608
1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one
CID 5216003
4-Benzylpiperazine-2,6-dione
CID 560967
1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378
(2E)-1-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 835862
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone (CID 19325375) is 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is CMCBVCKQOHOWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone?
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 19325375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).