[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone

C12H24N4O2 — CID 55177070

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CCN(CCO)CC2)CN1
InChIInChI=1S/C12H24N4O2/c1-10-8-14-11(9-13-10)12(18)16-4-2-15(3-5-16)6-7-17/h10-11,13-14,17H,2-9H2,1H3
InChIKeyXLILMFBTYOEBNJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.93
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone (PubChem CID 55177070) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
PubChem CID55177070
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CCN(CCO)CC2)CN1
InChIInChI=1S/C12H24N4O2/c1-10-8-14-11(9-13-10)12(18)16-4-2-15(3-5-16)6-7-17/h10-11,13-14,17H,2-9H2,1H3
InChIKeyXLILMFBTYOEBNJ-UHFFFAOYSA-N
XLogP-1.93
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 43592211
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 79180783
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 63103852
[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 63524790
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082
4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511446

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone (CID 55177070) is [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CCN(CCO)CC2)CN1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The InChIKey is XLILMFBTYOEBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10-8-14-11(9-13-10)12(18)16-4-2-15(3-5-16)6-7-17/h10-11,13-14,17H,2-9H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of -1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 55177070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).