2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

C20H23FN4O2 — CID 45193283

IUPAC2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc3nonc23)CCN1Cc1ccccc1F
InChIInChI=1S/C20H23FN4O2/c21-18-6-2-1-4-15(18)13-25-10-9-24(14-17(25)8-11-26)12-16-5-3-7-19-20(16)23-27-22-19/h1-7,17,26H,8-14H2
InChIKeyDDQDGZKHPXYEGN-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45193283) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45193283
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc3nonc23)CCN1Cc1ccccc1F
InChIInChI=1S/C20H23FN4O2/c21-18-6-2-1-4-15(18)13-25-10-9-24(14-17(25)8-11-26)12-16-5-3-7-19-20(16)23-27-22-19/h1-7,17,26H,8-14H2
InChIKeyDDQDGZKHPXYEGN-UHFFFAOYSA-N
XLogP2.43
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 28786044
2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 29023590
2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-methylpiperazin-2-yl]ethanol
CID 166324463
2-[1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 45242331
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45193918
2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51635866
2-[(2S)-4-(2-ethoxyethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 99963545
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
CID 29021714
2-[[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 51909759
2-[(2R)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
CID 51907395
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 45193283) is 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2cccc3nonc23)CCN1Cc1ccccc1F.
What is the InChIKey of 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is DDQDGZKHPXYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-18-6-2-1-4-15(18)13-25-10-9-24(14-17(25)8-11-26)12-16-5-3-7-19-20(16)23-27-22-19/h1-7,17,26H,8-14H2.
What are the key properties of 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 370.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45193283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).