4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

C12H24N2O2 — CID 71988721

IUPAC4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(CCCO)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)14-11(16)8-13(6-5-7-15)9-12(14,3)4/h10,15H,5-9H2,1-4H3
InChIKeyXLDZHWORLUASPQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds4

About 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 71988721) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID71988721
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(CCCO)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)14-11(16)8-13(6-5-7-15)9-12(14,3)4/h10,15H,5-9H2,1-4H3
InChIKeyXLDZHWORLUASPQ-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (CID 71988721) is 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is CC(C)N1C(=O)CN(CCCO)CC1(C)C.
What is the InChIKey of 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is XLDZHWORLUASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14-11(16)8-13(6-5-7-15)9-12(14,3)4/h10,15H,5-9H2,1-4H3.
What are the key properties of 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 71988721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).