4-(3-methoxyphenyl)piperazine-1-carbaldehyde

C12H16N2O2 — CID 22945750

IUPAC4-(3-methoxyphenyl)piperazine-1-carbaldehyde
SMILESCOc1cccc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C12H16N2O2/c1-16-12-4-2-3-11(9-12)14-7-5-13(10-15)6-8-14/h2-4,9-10H,5-8H2,1H3
InChIKeyCILDXYYZJNEAFG-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.97
Rot. Bonds3

About 4-(3-methoxyphenyl)piperazine-1-carbaldehyde

4-(3-methoxyphenyl)piperazine-1-carbaldehyde (PubChem CID 22945750) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-methoxyphenyl)piperazine-1-carbaldehyde
PubChem CID22945750
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(3-methoxyphenyl)piperazine-1-carbaldehyde
SMILESCOc1cccc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C12H16N2O2/c1-16-12-4-2-3-11(9-12)14-7-5-13(10-15)6-8-14/h2-4,9-10H,5-8H2,1H3
InChIKeyCILDXYYZJNEAFG-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.97
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-chloroethenyl)-4-(3-methoxyphenyl)piperazine
CID 174430054
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)azepane
CID 57276431
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-methoxyphenyl)piperazine-1-carbaldehyde (CID 22945750) is 4-(3-methoxyphenyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-methoxyphenyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-methoxyphenyl)piperazine-1-carbaldehyde is COc1cccc(N2CCN(C=O)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)piperazine-1-carbaldehyde?
The InChIKey is CILDXYYZJNEAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12-4-2-3-11(9-12)14-7-5-13(10-15)6-8-14/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)piperazine-1-carbaldehyde?
4-(3-methoxyphenyl)piperazine-1-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 22945750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).