5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one

C12H25N3O2 — CID 82683408

IUPAC5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O2/c1-11(10-13)2-3-12(17)15-6-4-14(5-7-15)8-9-16/h11,16H,2-10,13H2,1H3
InChIKeyYHKKFMMICSVZDZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.50
Rot. Bonds6

About 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one

5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 82683408) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID82683408
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O2/c1-11(10-13)2-3-12(17)15-6-4-14(5-7-15)8-9-16/h11,16H,2-10,13H2,1H3
InChIKeyYHKKFMMICSVZDZ-UHFFFAOYSA-N
XLogP-0.50
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82689328
2-[4-(5-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetic acid
CID 82011803
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one (CID 82683408) is 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is YHKKFMMICSVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(10-13)2-3-12(17)15-6-4-14(5-7-15)8-9-16/h11,16H,2-10,13H2,1H3.
What are the key properties of 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one?
5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 82683408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).