[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone

C14H26N2O3 — CID 122152014

IUPAC[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCCOC2)C[C@H](C)N1CCO
InChIInChI=1S/C14H26N2O3/c1-11-8-15(9-12(2)16(11)5-6-17)14(18)13-4-3-7-19-10-13/h11-13,17H,3-10H2,1-2H3/t11-,12+,13?
InChIKeyLOLWZXQYUXGSTG-FUNVUKJBSA-N
MW270.37 g/mol
LogP0.33
Rot. Bonds3

About [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone

[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone (PubChem CID 122152014) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone
PubChem CID122152014
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCCOC2)C[C@H](C)N1CCO
InChIInChI=1S/C14H26N2O3/c1-11-8-15(9-12(2)16(11)5-6-17)14(18)13-4-3-7-19-10-13/h11-13,17H,3-10H2,1-2H3/t11-,12+,13?
InChIKeyLOLWZXQYUXGSTG-FUNVUKJBSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone (CID 122152014) is [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone is C[C@@H]1CN(C(=O)C2CCCOC2)C[C@H](C)N1CCO.
What is the InChIKey of [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is LOLWZXQYUXGSTG-FUNVUKJBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-8-15(9-12(2)16(11)5-6-17)14(18)13-4-3-7-19-10-13/h11-13,17H,3-10H2,1-2H3/t11-,12+,13?.
What are the key properties of [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone?
[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 122152014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).