1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone

C11H22N2O3 — CID 111105931

IUPAC1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
SMILESCCC(O)CN1CCN(C(=O)COC)CC1
InChIInChI=1S/C11H22N2O3/c1-3-10(14)8-12-4-6-13(7-5-12)11(15)9-16-2/h10,14H,3-9H2,1-2H3
InChIKeyICDAYKBSHOXHBO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.45
Rot. Bonds5

About 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 111105931) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID111105931
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
SMILESCCC(O)CN1CCN(C(=O)COC)CC1
InChIInChI=1S/C11H22N2O3/c1-3-10(14)8-12-4-6-13(7-5-12)11(15)9-16-2/h10,14H,3-9H2,1-2H3
InChIKeyICDAYKBSHOXHBO-UHFFFAOYSA-N
XLogP-0.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
CID 95606801
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95345574
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 95340577
4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 56803124
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 95613274
1-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methoxyethanone
CID 110898010
(2S)-2-ethoxy-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613590
(2S)-2-ethoxy-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613591
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone (CID 111105931) is 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone is CCC(O)CN1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is ICDAYKBSHOXHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-10(14)8-12-4-6-13(7-5-12)11(15)9-16-2/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 230.31 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 111105931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).