2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol

C15H24N2O — CID 82086942

IUPAC2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCCc1ccc(C(CO)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-13-4-6-14(7-5-13)15(12-18)17-10-8-16(2)9-11-17/h4-7,15,18H,3,8-12H2,1-2H3
InChIKeyOGEDWCWLQRKLJL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol

2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 82086942) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID82086942
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCCc1ccc(C(CO)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-13-4-6-14(7-5-13)15(12-18)17-10-8-16(2)9-11-17/h4-7,15,18H,3,8-12H2,1-2H3
InChIKeyOGEDWCWLQRKLJL-UHFFFAOYSA-N
XLogP1.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 112539444
2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860268
1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
CID 82084005
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 169109522
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 30642863
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 112540189
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860282
4-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diol
CID 3070957

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol (CID 82086942) is 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol is CCc1ccc(C(CO)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is OGEDWCWLQRKLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-13-4-6-14(7-5-13)15(12-18)17-10-8-16(2)9-11-17/h4-7,15,18H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol?
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 82086942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).