[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone

C13H24N2O3 — CID 82245518

IUPAC[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCCO2)C(CO)CN1
InChIInChI=1S/C13H24N2O3/c1-9(2)11-7-15(10(8-16)6-14-11)13(17)12-4-3-5-18-12/h9-12,14,16H,3-8H2,1-2H3
InChIKeyYIIZIPRTIQROHV-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.02
Rot. Bonds3

About [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone

[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 82245518) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID82245518
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCCO2)C(CO)CN1
InChIInChI=1S/C13H24N2O3/c1-9(2)11-7-15(10(8-16)6-14-11)13(17)12-4-3-5-18-12/h9-12,14,16H,3-8H2,1-2H3
InChIKeyYIIZIPRTIQROHV-UHFFFAOYSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone
CID 82242481
[(2S,4R)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 50954855
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 82249438
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 82245518) is [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone is CC(C)C1CN(C(=O)C2CCCO2)C(CO)CN1.
What is the InChIKey of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YIIZIPRTIQROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)11-7-15(10(8-16)6-14-11)13(17)12-4-3-5-18-12/h9-12,14,16H,3-8H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 82245518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).