4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde

C13H18N2O — CID 142695592

IUPAC4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
SMILESCc1cc(C)cc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C13H18N2O/c1-11-7-12(2)9-13(8-11)15-5-3-14(10-16)4-6-15/h7-10H,3-6H2,1-2H3
InChIKeyBFRCJQZBOFXDDK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.58
Rot. Bonds2

About 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde

4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde (PubChem CID 142695592) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
PubChem CID142695592
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
SMILESCc1cc(C)cc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C13H18N2O/c1-11-7-12(2)9-13(8-11)15-5-3-14(10-16)4-6-15/h7-10H,3-6H2,1-2H3
InChIKeyBFRCJQZBOFXDDK-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
CID 134499697
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
N-[4-(4-formylpiperazin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 112981750
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113075589
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
CID 82118959
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
4-[4-(aminomethyl)phenyl]piperazine-1-carbaldehyde
CID 83641590
4-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345744

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde (CID 142695592) is 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde is Cc1cc(C)cc(N2CCN(C=O)CC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde?
The InChIKey is BFRCJQZBOFXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-7-12(2)9-13(8-11)15-5-3-14(10-16)4-6-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde?
4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 142695592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).