2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol

C22H38N4O2 — CID 15413989

IUPAC2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol
SMILESCc1cc(C)c(CN2CCN(CCO)CC2)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C22H38N4O2/c1-19-15-20(2)22(18-26-9-5-24(6-10-26)12-14-28)16-21(19)17-25-7-3-23(4-8-25)11-13-27/h15-16,27-28H,3-14,17-18H2,1-2H3
InChIKeyNFGOTFDOUGEKLI-UHFFFAOYSA-N
MW390.57 g/mol
LogP0.52
Rot. Bonds8

About 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 15413989) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol
PubChem CID15413989
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol
SMILESCc1cc(C)c(CN2CCN(CCO)CC2)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C22H38N4O2/c1-19-15-20(2)22(18-26-9-5-24(6-10-26)12-14-28)16-21(19)17-25-7-3-23(4-8-25)11-13-27/h15-16,27-28H,3-14,17-18H2,1-2H3
InChIKeyNFGOTFDOUGEKLI-UHFFFAOYSA-N
XLogP0.52
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 71136901
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
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CID 2845354
2-[4-[(3-methylfuran-2-yl)methyl]piperazin-1-yl]ethanol
CID 30704245
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol
CID 70766194
1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 91838509
2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 91774740

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol (CID 15413989) is 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol is Cc1cc(C)c(CN2CCN(CCO)CC2)cc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is NFGOTFDOUGEKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-19-15-20(2)22(18-26-9-5-24(6-10-26)12-14-28)16-21(19)17-25-7-3-23(4-8-25)11-13-27/h15-16,27-28H,3-14,17-18H2,1-2H3.
What are the key properties of 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 390.57 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 15413989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).