1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone

C10H20N2O3 — CID 95606801

IUPAC1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C10H20N2O3/c1-9(13)7-11-3-5-12(6-4-11)10(14)8-15-2/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeySXWGFBNXXVQIEO-SECBINFHSA-N
MW216.28 g/mol
LogP-0.84
Rot. Bonds4

About 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 95606801) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID95606801
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C10H20N2O3/c1-9(13)7-11-3-5-12(6-4-11)10(14)8-15-2/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeySXWGFBNXXVQIEO-SECBINFHSA-N
XLogP-0.84
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
(3S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-3-methoxybutan-1-one
CID 95607251
(3S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-methoxybutan-1-one
CID 95607253
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
4-(2-methoxyacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60757389
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
1-[4-(2-chloroethyl)piperazin-1-yl]-2-methoxyethanone;hydrochloride
CID 82032370
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone (CID 95606801) is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is SXWGFBNXXVQIEO-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(13)7-11-3-5-12(6-4-11)10(14)8-15-2/h9,13H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 216.28 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95606801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).