2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol

C24H27FN2O — CID 167935408

IUPAC2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccc(-c2ccc3ccccc3c2F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C24H27FN2O/c1-18(27-14-12-26(13-15-27)16-17-28)19-6-8-21(9-7-19)23-11-10-20-4-2-3-5-22(20)24(23)25/h2-11,18,28H,12-17H2,1H3
InChIKeyIHXBWMTZMBPNEO-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.32
Rot. Bonds5

About 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol

2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol (PubChem CID 167935408) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol
PubChem CID167935408
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccc(-c2ccc3ccccc3c2F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C24H27FN2O/c1-18(27-14-12-26(13-15-27)16-17-28)19-6-8-21(9-7-19)23-11-10-20-4-2-3-5-22(20)24(23)25/h2-11,18,28H,12-17H2,1H3
InChIKeyIHXBWMTZMBPNEO-UHFFFAOYSA-N
XLogP4.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol
CID 166245719
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
CID 47520556
2-[4-[1-[4-[4-[(1-methylpyrrolidin-3-yl)oxymethyl]phenyl]phenyl]ethyl]piperazin-1-yl]ethanol
CID 126675756
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 82958965
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
CID 44768073
1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
CID 22760363
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol (CID 167935408) is 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol is CC(c1ccc(-c2ccc3ccccc3c2F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is IHXBWMTZMBPNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-18(27-14-12-26(13-15-27)16-17-28)19-6-8-21(9-7-19)23-11-10-20-4-2-3-5-22(20)24(23)25/h2-11,18,28H,12-17H2,1H3.
What are the key properties of 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol?
2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 378.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 167935408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).