2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

C20H26FN3O2 — CID 45199401

IUPAC2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cccnc3)CC2CCO)c(F)c1
InChIInChI=1S/C20H26FN3O2/c1-26-19-5-4-17(20(21)11-19)14-24-9-8-23(15-18(24)6-10-25)13-16-3-2-7-22-12-16/h2-5,7,11-12,18,25H,6,8-10,13-15H2,1H3
InChIKeyPVCJXCIEFJBAKW-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.30
Rot. Bonds7

About 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45199401) has the molecular formula C20H26FN3O2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45199401
Molecular FormulaC20H26FN3O2
Molecular Weight359.44 g/mol
Exact Mass359.20
IUPAC Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cccnc3)CC2CCO)c(F)c1
InChIInChI=1S/C20H26FN3O2/c1-26-19-5-4-17(20(21)11-19)14-24-9-8-23(15-18(24)6-10-25)13-16-3-2-7-22-12-16/h2-5,7,11-12,18,25H,6,8-10,13-15H2,1H3
InChIKeyPVCJXCIEFJBAKW-UHFFFAOYSA-N
XLogP2.30
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (CID 45199401) is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3cccnc3)CC2CCO)c(F)c1.
What is the InChIKey of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is PVCJXCIEFJBAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-26-19-5-4-17(20(21)11-19)14-24-9-8-23(15-18(24)6-10-25)13-16-3-2-7-22-12-16/h2-5,7,11-12,18,25H,6,8-10,13-15H2,1H3.
What are the key properties of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 359.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45199401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).