ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone

C16H26N2O2 — CID 142419477

IUPACethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
SMILESCC.COc1cc(N2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C14H20N2O2.C2H6/c1-11-4-5-13(10-14(11)18-3)16-8-6-15(7-9-16)12(2)17;1-2/h4-5,10H,6-9H2,1-3H3;1-2H3
InChIKeySHLZKDWGKQQBPL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds2

About ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone

ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 142419477) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
PubChem CID142419477
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
SMILESCC.COc1cc(N2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C14H20N2O2.C2H6/c1-11-4-5-13(10-14(11)18-3)16-8-6-15(7-9-16)12(2)17;1-2/h4-5,10H,6-9H2,1-3H3;1-2H3
InChIKeySHLZKDWGKQQBPL-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]thiourea
CID 169356268
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
1-[4-(4-amino-3-methoxyphenyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 68593370
1-[2-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dimethylpyrazole-3-carbonitrile
CID 163490404
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
(3,4-dimethylphenyl)-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]methanone
CID 113079974
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
N-[4-(4-acetylpiperazin-1-yl)-2-methylphenyl]methanesulfonamide
CID 21278904

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone (CID 142419477) is ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone is CC.COc1cc(N2CCN(C(C)=O)CC2)ccc1C.
What is the InChIKey of ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is SHLZKDWGKQQBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C2H6/c1-11-4-5-13(10-14(11)18-3)16-8-6-15(7-9-16)12(2)17;1-2/h4-5,10H,6-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone?
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 142419477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).