1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one

C22H27FN2O2 — CID 110613299

IUPAC1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCCOc1ccccc1CN1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O2/c1-2-27-21-10-6-4-8-19(21)17-24-13-15-25(16-14-24)22(26)12-11-18-7-3-5-9-20(18)23/h3-10H,2,11-17H2,1H3
InChIKeyMZGSGCZCJXKDSG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.50
Rot. Bonds7

About 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one

1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 110613299) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID110613299
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESCCOc1ccccc1CN1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O2/c1-2-27-21-10-6-4-8-19(21)17-24-13-15-25(16-14-24)22(26)12-11-18-7-3-5-9-20(18)23/h3-10H,2,11-17H2,1H3
InChIKeyMZGSGCZCJXKDSG-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110426711
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
3-(2-ethoxyphenyl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55685306
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 127032087
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
CID 8732892
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110360003
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (CID 110613299) is 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is CCOc1ccccc1CN1CCN(C(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is MZGSGCZCJXKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-2-27-21-10-6-4-8-19(21)17-24-13-15-25(16-14-24)22(26)12-11-18-7-3-5-9-20(18)23/h3-10H,2,11-17H2,1H3.
What are the key properties of 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 370.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 110613299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).