2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol

C16H27N3O — CID 62135193

IUPAC2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
SMILESCCNCc1ccc(N2CCN(CCO)CC2)cc1C
InChIInChI=1S/C16H27N3O/c1-3-17-13-15-4-5-16(12-14(15)2)19-8-6-18(7-9-19)10-11-20/h4-5,12,17,20H,3,6-11,13H2,1-2H3
InChIKeyZSFJZDVGKRJXGF-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.22
Rot. Bonds6

About 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol

2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol (PubChem CID 62135193) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
PubChem CID62135193
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
SMILESCCNCc1ccc(N2CCN(CCO)CC2)cc1C
InChIInChI=1S/C16H27N3O/c1-3-17-13-15-4-5-16(12-14(15)2)19-8-6-18(7-9-19)10-11-20/h4-5,12,17,20H,3,6-11,13H2,1-2H3
InChIKeyZSFJZDVGKRJXGF-UHFFFAOYSA-N
XLogP1.22
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
CID 63158568
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
CID 62134517
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol
CID 143655087
2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848529
4-[4-(ethylaminomethyl)-3-methylphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889685
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylphenyl]methyl]ethanamine
CID 115560663
1-[4-[3-methyl-4-(propylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 62135343
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
2-methoxy-N-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63058721
2-[4-(3-amino-4-methylphenyl)-1,4-diazepan-1-yl]ethanol
CID 107213976

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol (CID 62135193) is 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol is CCNCc1ccc(N2CCN(CCO)CC2)cc1C.
What is the InChIKey of 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol?
The InChIKey is ZSFJZDVGKRJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-13-15-4-5-16(12-14(15)2)19-8-6-18(7-9-19)10-11-20/h4-5,12,17,20H,3,6-11,13H2,1-2H3.
What are the key properties of 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol?
2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 62135193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).