2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol

C16H27N3O — CID 82853015

IUPAC2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
SMILESCN1CCN(CCN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-17-7-9-18(10-8-17)11-12-19(13-14-20)15-16-5-3-2-4-6-16/h2-6,20H,7-15H2,1H3
InChIKeyALDFUHSCOVGALI-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.73
Rot. Bonds7

About 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol

2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol (PubChem CID 82853015) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
PubChem CID82853015
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
SMILESCN1CCN(CCN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-17-7-9-18(10-8-17)11-12-19(13-14-20)15-16-5-3-2-4-6-16/h2-6,20H,7-15H2,1H3
InChIKeyALDFUHSCOVGALI-UHFFFAOYSA-N
XLogP0.73
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
CID 143170210
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol (CID 82853015) is 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol is CN1CCN(CCN(CCO)Cc2ccccc2)CC1.
What is the InChIKey of 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol?
The InChIKey is ALDFUHSCOVGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-7-9-18(10-8-17)11-12-19(13-14-20)15-16-5-3-2-4-6-16/h2-6,20H,7-15H2,1H3.
What are the key properties of 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol?
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol has a molecular weight of 277.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol is sourced from PubChem (CID 82853015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).