2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol

C15H32N4O — CID 82565073

IUPAC2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol
SMILESCCN1CCN(C2CNCCC2CN(C)CCO)CC1
InChIInChI=1S/C15H32N4O/c1-3-18-6-8-19(9-7-18)15-12-16-5-4-14(15)13-17(2)10-11-20/h14-16,20H,3-13H2,1-2H3
InChIKeyJWPBRTGBEWIXTD-UHFFFAOYSA-N
MW284.45 g/mol
LogP-0.47
Rot. Bonds6

About 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol

2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol (PubChem CID 82565073) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol
PubChem CID82565073
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol
SMILESCCN1CCN(C2CNCCC2CN(C)CCO)CC1
InChIInChI=1S/C15H32N4O/c1-3-18-6-8-19(9-7-18)15-12-16-5-4-14(15)13-17(2)10-11-20/h14-16,20H,3-13H2,1-2H3
InChIKeyJWPBRTGBEWIXTD-UHFFFAOYSA-N
XLogP-0.47
TPSA41.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol (CID 82565073) is 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol is CCN1CCN(C2CNCCC2CN(C)CCO)CC1.
What is the InChIKey of 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol?
The InChIKey is JWPBRTGBEWIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-3-18-6-8-19(9-7-18)15-12-16-5-4-14(15)13-17(2)10-11-20/h14-16,20H,3-13H2,1-2H3.
What are the key properties of 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol?
2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol has a molecular weight of 284.45 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylpiperazin-1-yl)piperidin-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 82565073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).