4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol

C20H25FN2O2 — CID 45177405

IUPAC4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
SMILESOCCC1CN(Cc2ccc(O)cc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2/c21-18-5-1-17(2-6-18)14-23-11-10-22(15-19(23)9-12-24)13-16-3-7-20(25)8-4-16/h1-8,19,24-25H,9-15H2
InChIKeySUNRBEKTCCPVFA-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.60
Rot. Bonds6

About 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol

4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol (PubChem CID 45177405) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
PubChem CID45177405
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
SMILESOCCC1CN(Cc2ccc(O)cc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2/c21-18-5-1-17(2-6-18)14-23-11-10-22(15-19(23)9-12-24)13-16-3-7-20(25)8-4-16/h1-8,19,24-25H,9-15H2
InChIKeySUNRBEKTCCPVFA-UHFFFAOYSA-N
XLogP2.60
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-chloro-4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45182941
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[4-[[4-(difluoromethoxy)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45205105
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
2-[1-[(4-fluorophenyl)methyl]-4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45185727
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51636339
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210132
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45233166

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol (CID 45177405) is 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol is OCCC1CN(Cc2ccc(O)cc2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The InChIKey is SUNRBEKTCCPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-18-5-1-17(2-6-18)14-23-11-10-22(15-19(23)9-12-24)13-16-3-7-20(25)8-4-16/h1-8,19,24-25H,9-15H2.
What are the key properties of 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol has a molecular weight of 344.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 45177405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).