1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C26H35FN4O2 — CID 170962162

IUPAC1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(F)c1CN1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C26H35FN4O2/c1-33-25-9-5-8-24(27)23(25)20-29-16-18-31(19-17-29)26(32)21-30-14-12-28(13-15-30)11-10-22-6-3-2-4-7-22/h2-9H,10-21H2,1H3
InChIKeyLMIRNYMFFXCJFP-UHFFFAOYSA-N
MW454.59 g/mol
LogP2.34
Rot. Bonds8

About 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone

1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 170962162) has the molecular formula C26H35FN4O2 and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID170962162
Molecular FormulaC26H35FN4O2
Molecular Weight454.59 g/mol
Exact Mass454.27
IUPAC Name1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(F)c1CN1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C26H35FN4O2/c1-33-25-9-5-8-24(27)23(25)20-29-16-18-31(19-17-29)26(32)21-30-14-12-28(13-15-30)11-10-22-6-3-2-4-7-22/h2-9H,10-21H2,1H3
InChIKeyLMIRNYMFFXCJFP-UHFFFAOYSA-N
XLogP2.34
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 176882447
2-[2-[[4-[2-amino-2-[1-(2-phenylethyl)piperidin-4-yl]acetyl]piperazin-1-yl]methyl]-3-fluorophenoxy]ethyl acetate
CID 174210288
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 45104052
1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 176882445
benzyl N-[(1R)-2-[4-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]ethyl]carbamate
CID 176882439
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46807626
2-chloro-1-[4-[(2-ethoxy-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 170962152
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
2-[4-[2-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 170962218
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 170962162) is 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone is COc1cccc(F)c1CN1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is LMIRNYMFFXCJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2/c1-33-25-9-5-8-24(27)23(25)20-29-16-18-31(19-17-29)26(32)21-30-14-12-28(13-15-30)11-10-22-6-3-2-4-7-22/h2-9H,10-21H2,1H3.
What are the key properties of 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 454.59 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 170962162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).