(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one

C12H25N3O2 — CID 93339973

IUPAC(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-3-4-11(13)12(17)15-7-5-14(6-8-15)9-10-16/h11,16H,2-10,13H2,1H3/t11-/m0/s1
InChIKeyDURKLLLUEZLORI-NSHDSACASA-N
MW243.35 g/mol
LogP-0.36
Rot. Bonds6

About (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one

(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one (PubChem CID 93339973) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
PubChem CID93339973
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-3-4-11(13)12(17)15-7-5-14(6-8-15)9-10-16/h11,16H,2-10,13H2,1H3/t11-/m0/s1
InChIKeyDURKLLLUEZLORI-NSHDSACASA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]hexan-1-one
CID 107218240
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2R)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104906961
2-[4-(2-aminohexanoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937695
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585
2-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylsulfonylbutan-1-one
CID 107218220
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one (CID 93339973) is (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one is CCCC[C@H](N)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one?
The InChIKey is DURKLLLUEZLORI-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-3-4-11(13)12(17)15-7-5-14(6-8-15)9-10-16/h11,16H,2-10,13H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one?
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 93339973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).