3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol

C16H25FN2O — CID 63619578

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
SMILESCCC1CN(CCC(O)c2ccccc2F)CCN1C
InChIInChI=1S/C16H25FN2O/c1-3-13-12-19(11-10-18(13)2)9-8-16(20)14-6-4-5-7-15(14)17/h4-7,13,16,20H,3,8-12H2,1-2H3
InChIKeyANUKEDTZGRLION-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.28
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol

3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol (PubChem CID 63619578) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
PubChem CID63619578
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
SMILESCCC1CN(CCC(O)c2ccccc2F)CCN1C
InChIInChI=1S/C16H25FN2O/c1-3-13-12-19(11-10-18(13)2)9-8-16(20)14-6-4-5-7-15(14)17/h4-7,13,16,20H,3,8-12H2,1-2H3
InChIKeyANUKEDTZGRLION-UHFFFAOYSA-N
XLogP2.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
(1R)-2-[(2R)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 95338013
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63159878
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 63634964

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol (CID 63619578) is 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol is CCC1CN(CCC(O)c2ccccc2F)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is ANUKEDTZGRLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-13-12-19(11-10-18(13)2)9-8-16(20)14-6-4-5-7-15(14)17/h4-7,13,16,20H,3,8-12H2,1-2H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 63619578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).