2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol

C19H24N2O2 — CID 83978303

IUPAC2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
SMILESCC1CNCCN1C(CO)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-13-20-10-11-21(15)19(14-22)16-6-5-9-18(12-16)23-17-7-3-2-4-8-17/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3
InChIKeyKMNAREYUSDLLRU-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol

2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol (PubChem CID 83978303) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
PubChem CID83978303
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
SMILESCC1CNCCN1C(CO)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-13-20-10-11-21(15)19(14-22)16-6-5-9-18(12-16)23-17-7-3-2-4-8-17/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3
InChIKeyKMNAREYUSDLLRU-UHFFFAOYSA-N
XLogP2.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83979295
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662
3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
CID 83977987
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979306
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol (CID 83978303) is 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol is CC1CNCCN1C(CO)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol?
The InChIKey is KMNAREYUSDLLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-13-20-10-11-21(15)19(14-22)16-6-5-9-18(12-16)23-17-7-3-2-4-8-17/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol?
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol has a molecular weight of 312.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol is sourced from PubChem (CID 83978303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).