2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol

C19H24N2O2 — CID 110109139

IUPAC2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCNCC2c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c22-11-12-23-18-8-4-5-16(13-18)15-21-10-9-20-14-19(21)17-6-2-1-3-7-17/h1-8,13,19-20,22H,9-12,14-15H2
InChIKeyUPLUOAGHYODHFC-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.20
Rot. Bonds6

About 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol

2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol (PubChem CID 110109139) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol
PubChem CID110109139
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCNCC2c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c22-11-12-23-18-8-4-5-16(13-18)15-21-10-9-20-14-19(21)17-6-2-1-3-7-17/h1-8,13,19-20,22H,9-12,14-15H2
InChIKeyUPLUOAGHYODHFC-UHFFFAOYSA-N
XLogP2.20
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(2R)-2-phenylpiperazin-1-yl]methyl]phenoxy]ethanol
CID 125007699
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95895040
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
2-[3-[[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methyl]phenoxy]ethanol
CID 134699437
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910845
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
2-[3-[[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]phenoxy]ethanol
CID 134705465
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol (CID 110109139) is 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol is OCCOc1cccc(CN2CCNCC2c2ccccc2)c1.
What is the InChIKey of 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol?
The InChIKey is UPLUOAGHYODHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-11-12-23-18-8-4-5-16(13-18)15-21-10-9-20-14-19(21)17-6-2-1-3-7-17/h1-8,13,19-20,22H,9-12,14-15H2.
What are the key properties of 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol?
2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol has a molecular weight of 312.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol is sourced from PubChem (CID 110109139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).