3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol

C17H28N2O — CID 63620086

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCCN1CCN(CCC(O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C17H28N2O/c1-4-19-12-11-18(13-15(19)3)10-9-17(20)16-7-5-14(2)6-8-16/h5-8,15,17,20H,4,9-13H2,1-3H3
InChIKeyYZHTWZIPHCPQLP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.44
Rot. Bonds5

About 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol

3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 63620086) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
PubChem CID63620086
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCCN1CCN(CCC(O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C17H28N2O/c1-4-19-12-11-18(13-15(19)3)10-9-17(20)16-7-5-14(2)6-8-16/h5-8,15,17,20H,4,9-13H2,1-3H3
InChIKeyYZHTWZIPHCPQLP-UHFFFAOYSA-N
XLogP2.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63635456
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 102886658
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 63633648
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 95978212
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745848

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol (CID 63620086) is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol is CCN1CCN(CCC(O)c2ccc(C)cc2)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is YZHTWZIPHCPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19-12-11-18(13-15(19)3)10-9-17(20)16-7-5-14(2)6-8-16/h5-8,15,17,20H,4,9-13H2,1-3H3.
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol?
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 63620086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).