ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C18H38N4O2 — CID 170569075

IUPACethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CC1CN(CCCO)CC(C)N1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H32N4O2.C2H6/c1-14-11-18(5-4-10-21)12-15(2)20(14)13-16(22)19-8-6-17(3)7-9-19;1-2/h14-15,21H,4-13H2,1-3H3;1-2H3
InChIKeyLWJIGZWGKACQAG-UHFFFAOYSA-N
MW342.53 g/mol
LogP0.56
Rot. Bonds5

About ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170569075) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID170569075
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Nameethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CC1CN(CCCO)CC(C)N1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H32N4O2.C2H6/c1-14-11-18(5-4-10-21)12-15(2)20(14)13-16(22)19-8-6-17(3)7-9-19;1-2/h14-15,21H,4-13H2,1-3H3;1-2H3
InChIKeyLWJIGZWGKACQAG-UHFFFAOYSA-N
XLogP0.56
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 170569075) is ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CC.CC1CN(CCCO)CC(C)N1CC(=O)N1CCN(C)CC1.
What is the InChIKey of ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LWJIGZWGKACQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.C2H6/c1-14-11-18(5-4-10-21)12-15(2)20(14)13-16(22)19-8-6-17(3)7-9-19;1-2/h14-15,21H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 342.53 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(3-hydroxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170569075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).