1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one

C13H26N2O4 — CID 99791521

IUPAC1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
SMILESCC(C)OCC[C@H](O)CN1CCN(CCO)C(=O)C1
InChIInChI=1S/C13H26N2O4/c1-11(2)19-8-3-12(17)9-14-4-5-15(6-7-16)13(18)10-14/h11-12,16-17H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyFKLKBDSLHKZJCB-LBPRGKRZSA-N
MW274.36 g/mol
LogP-0.70
Rot. Bonds8

About 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one

1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one (PubChem CID 99791521) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
PubChem CID99791521
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
SMILESCC(C)OCC[C@H](O)CN1CCN(CCO)C(=O)C1
InChIInChI=1S/C13H26N2O4/c1-11(2)19-8-3-12(17)9-14-4-5-15(6-7-16)13(18)10-14/h11-12,16-17H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyFKLKBDSLHKZJCB-LBPRGKRZSA-N
XLogP-0.70
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
CID 78782890
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
CID 117236714
4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
CID 123733558
1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one
CID 170420198
1-(2,3-dihydroxypropyl)pyrrolidin-3-one
CID 67368319

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one (CID 99791521) is 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one is CC(C)OCC[C@H](O)CN1CCN(CCO)C(=O)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one?
The InChIKey is FKLKBDSLHKZJCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(2)19-8-3-12(17)9-14-4-5-15(6-7-16)13(18)10-14/h11-12,16-17H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one?
1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of -0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one is sourced from PubChem (CID 99791521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).