cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde

C22H26N2O4 — CID 164556779

IUPACcyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)COc2ccc(O)cc2)CC1.c1ccc(C2CC2)cc1
InChIInChI=1S/C13H16N2O4.C9H10/c16-10-14-5-7-15(8-6-14)13(18)9-19-12-3-1-11(17)2-4-12;1-2-4-8(5-3-1)9-6-7-9/h1-4,10,17H,5-9H2;1-5,9H,6-7H2
InChIKeyNBWAWHLDYDAPRY-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.64
Rot. Bonds5

About cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde

cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde (PubChem CID 164556779) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Namecyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde
PubChem CID164556779
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namecyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)COc2ccc(O)cc2)CC1.c1ccc(C2CC2)cc1
InChIInChI=1S/C13H16N2O4.C9H10/c16-10-14-5-7-15(8-6-14)13(18)9-19-12-3-1-11(17)2-4-12;1-2-4-8(5-3-1)9-6-7-9/h1-4,10,17H,5-9H2;1-5,9H,6-7H2
InChIKeyNBWAWHLDYDAPRY-UHFFFAOYSA-N
XLogP2.64
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cyclopropylbenzene;4-[2-(4-formylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 164556681
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
4-(2-cyclohexylsulfanylacetyl)piperazine-1-carbaldehyde;cyclopropylbenzene
CID 164556781
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 51327383
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
1-[(3aS,6aR)-4-[2-(4-hydroxyphenoxy)acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-2-phenylethanone
CID 171679616
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
CID 11896902

Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde (CID 164556779) is cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)COc2ccc(O)cc2)CC1.c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde?
The InChIKey is NBWAWHLDYDAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4.C9H10/c16-10-14-5-7-15(8-6-14)13(18)9-19-12-3-1-11(17)2-4-12;1-2-4-8(5-3-1)9-6-7-9/h1-4,10,17H,5-9H2;1-5,9H,6-7H2.
What are the key properties of cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde?
cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde has a molecular weight of 382.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;4-[2-(4-hydroxyphenoxy)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 164556779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).