1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one

C14H26N2O4 — CID 167981032

IUPAC1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCCO1)C(=O)N1CCNCC1CO
InChIInChI=1S/C14H26N2O4/c1-11(20-10-13-4-2-3-7-19-13)14(18)16-6-5-15-8-12(16)9-17/h11-13,15,17H,2-10H2,1H3
InChIKeyAPXAGOIRNKCDOI-UHFFFAOYSA-N
MW286.37 g/mol
LogP-0.25
Rot. Bonds5

About 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one

1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one (PubChem CID 167981032) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
PubChem CID167981032
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCCO1)C(=O)N1CCNCC1CO
InChIInChI=1S/C14H26N2O4/c1-11(20-10-13-4-2-3-7-19-13)14(18)16-6-5-15-8-12(16)9-17/h11-13,15,17H,2-10H2,1H3
InChIKeyAPXAGOIRNKCDOI-UHFFFAOYSA-N
XLogP-0.25
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
2-(oxan-2-ylmethoxy)-N-piperidin-3-ylpropanamide
CID 119429154
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663
(3R)-4-[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
CID 124832520
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95348972
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368
(2S)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 98772177
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 100865014
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 100858205
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 96999340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one (CID 167981032) is 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one is CC(OCC1CCCCO1)C(=O)N1CCNCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one?
The InChIKey is APXAGOIRNKCDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(20-10-13-4-2-3-7-19-13)14(18)16-6-5-15-8-12(16)9-17/h11-13,15,17H,2-10H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one?
1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one has a molecular weight of 286.37 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperazin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 167981032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).