2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol

C19H30N2O2 — CID 45188465

IUPAC2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCOCC2)CCN1CCc1ccccc1
InChIInChI=1S/C19H30N2O2/c22-13-7-19-16-21(18-8-14-23-15-9-18)12-11-20(19)10-6-17-4-2-1-3-5-17/h1-5,18-19,22H,6-16H2
InChIKeyMLMUDCFJNVBRIM-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 45188465) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID45188465
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCOCC2)CCN1CCc1ccccc1
InChIInChI=1S/C19H30N2O2/c22-13-7-19-16-21(18-8-14-23-15-9-18)12-11-20(19)10-6-17-4-2-1-3-5-17/h1-5,18-19,22H,6-16H2
InChIKeyMLMUDCFJNVBRIM-UHFFFAOYSA-N
XLogP1.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45249187
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216
2-[(2S)-1-[(4-methylphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 92666914
2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98597593
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 98579803
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
3-[[3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]chromen-4-one
CID 45196251
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45182539
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 45188465) is 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol is OCCC1CN(C2CCOCC2)CCN1CCc1ccccc1.
What is the InChIKey of 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is MLMUDCFJNVBRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-13-7-19-16-21(18-8-14-23-15-9-18)12-11-20(19)10-6-17-4-2-1-3-5-17/h1-5,18-19,22H,6-16H2.
What are the key properties of 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 318.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45188465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).