1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone

C14H20N2O2 — CID 43237144

IUPAC1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCNCC1
InChIInChI=1S/C14H20N2O2/c1-11(17)12-3-4-14(18-2)13(9-12)10-16-7-5-15-6-8-16/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyHBKNFKFPXBSIPN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds4

About 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone

1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone (PubChem CID 43237144) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
PubChem CID43237144
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCNCC1
InChIInChI=1S/C14H20N2O2/c1-11(17)12-3-4-14(18-2)13(9-12)10-16-7-5-15-6-8-16/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyHBKNFKFPXBSIPN-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
1-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8704243
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[3-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8691222
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
1-[3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 9258775

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone (CID 43237144) is 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CCNCC1.
What is the InChIKey of 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone?
The InChIKey is HBKNFKFPXBSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)12-3-4-14(18-2)13(9-12)10-16-7-5-15-6-8-16/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone?
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 43237144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).