1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol

C21H29N3O — CID 21292113

IUPAC1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol
SMILESCCN(C)c1cccc(C(O)CN2CCNCC2c2ccccc2)c1
InChIInChI=1S/C21H29N3O/c1-3-23(2)19-11-7-10-18(14-19)21(25)16-24-13-12-22-15-20(24)17-8-5-4-6-9-17/h4-11,14,20-22,25H,3,12-13,15-16H2,1-2H3
InChIKeyPHGHZAGXJKYASN-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.82
Rot. Bonds6

About 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol

1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol (PubChem CID 21292113) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol
PubChem CID21292113
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol
SMILESCCN(C)c1cccc(C(O)CN2CCNCC2c2ccccc2)c1
InChIInChI=1S/C21H29N3O/c1-3-23(2)19-11-7-10-18(14-19)21(25)16-24-13-12-22-15-20(24)17-8-5-4-6-9-17/h4-11,14,20-22,25H,3,12-13,15-16H2,1-2H3
InChIKeyPHGHZAGXJKYASN-UHFFFAOYSA-N
XLogP2.82
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol?
The IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol (CID 21292113) is 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol is CCN(C)c1cccc(C(O)CN2CCNCC2c2ccccc2)c1.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol?
The InChIKey is PHGHZAGXJKYASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-3-23(2)19-11-7-10-18(14-19)21(25)16-24-13-12-22-15-20(24)17-8-5-4-6-9-17/h4-11,14,20-22,25H,3,12-13,15-16H2,1-2H3.
What are the key properties of 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol?
1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol has a molecular weight of 339.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]phenyl]-2-(2-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 21292113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).