4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one

C12H22N2O2 — CID 117026734

IUPAC4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one
SMILESO=C1CN(C2CCCCCC2)CC(CO)N1
InChIInChI=1S/C12H22N2O2/c15-9-10-7-14(8-12(16)13-10)11-5-3-1-2-4-6-11/h10-11,15H,1-9H2,(H,13,16)
InChIKeyDDXRYRSDXGQVIP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds2

About 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one

4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one (PubChem CID 117026734) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one.

Molecular Properties

Compound Name4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one
PubChem CID117026734
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one
SMILESO=C1CN(C2CCCCCC2)CC(CO)N1
InChIInChI=1S/C12H22N2O2/c15-9-10-7-14(8-12(16)13-10)11-5-3-1-2-4-6-11/h10-11,15H,1-9H2,(H,13,16)
InChIKeyDDXRYRSDXGQVIP-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one
CID 68639671
6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
CID 117026726
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
7-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]azepan-2-one
CID 126892638
4-cyclohexyl-6,6-dimethylpiperazin-2-one
CID 117023924
4-cyclopentyl-1,4-diazepan-2-one
CID 117005235
4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026747
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
CID 170608937
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
(4-cyclohexylmorpholin-2-yl)methanol
CID 83831638

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one?
The IUPAC name of 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one (CID 117026734) is 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one.
What is the SMILES notation for 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one?
The canonical SMILES for 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one is O=C1CN(C2CCCCCC2)CC(CO)N1.
What is the InChIKey of 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one?
The InChIKey is DDXRYRSDXGQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-9-10-7-14(8-12(16)13-10)11-5-3-1-2-4-6-11/h10-11,15H,1-9H2,(H,13,16).
What are the key properties of 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one?
4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one is sourced from PubChem (CID 117026734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).