4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane

C16H26N2O2 — CID 176933740

IUPAC4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
SMILESCC(C)C.COc1ccccc1N1CCN(C=O)CC1
InChIInChI=1S/C12H16N2O2.C4H10/c1-16-12-5-3-2-4-11(12)14-8-6-13(10-15)7-9-14;1-4(2)3/h2-5,10H,6-9H2,1H3;4H,1-3H3
InChIKeyBHUBXYWAQZBGIB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds3

About 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane

4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane (PubChem CID 176933740) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane.

Molecular Properties

Compound Name4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
PubChem CID176933740
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
SMILESCC(C)C.COc1ccccc1N1CCN(C=O)CC1
InChIInChI=1S/C12H16N2O2.C4H10/c1-16-12-5-3-2-4-11(12)14-8-6-13(10-15)7-9-14;1-4(2)3/h2-5,10H,6-9H2,1H3;4H,1-3H3
InChIKeyBHUBXYWAQZBGIB-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane?
The IUPAC name of 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane (CID 176933740) is 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane.
What is the SMILES notation for 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane?
The canonical SMILES for 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane is CC(C)C.COc1ccccc1N1CCN(C=O)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane?
The InChIKey is BHUBXYWAQZBGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C4H10/c1-16-12-5-3-2-4-11(12)14-8-6-13(10-15)7-9-14;1-4(2)3/h2-5,10H,6-9H2,1H3;4H,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane?
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane has a molecular weight of 278.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane is sourced from PubChem (CID 176933740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).