2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde

C14H20N2O2 — CID 76782314

IUPAC2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1N1CC(C)NC(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-7-16(8-11(2)15-10)14-12(9-17)5-4-6-13(14)18-3/h4-6,9-11,15H,7-8H2,1-3H3
InChIKeyBOZZQRAIJKRMKO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde

2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde (PubChem CID 76782314) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
PubChem CID76782314
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1N1CC(C)NC(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-7-16(8-11(2)15-10)14-12(9-17)5-4-6-13(14)18-3/h4-6,9-11,15H,7-8H2,1-3H3
InChIKeyBOZZQRAIJKRMKO-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.69
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

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-methoxybenzaldehyde
CID 58423243
ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine
CID 143920429
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methoxybenzaldehyde
CID 88880264
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
3-methoxy-2-methylselanylbenzaldehyde
CID 140629309
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-methoxybenzaldehyde
CID 99991877
2-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]-3-methoxybenzaldehyde
CID 132649982
2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde
CID 154261138
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde (CID 76782314) is 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde is COc1cccc(C=O)c1N1CC(C)NC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde?
The InChIKey is BOZZQRAIJKRMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-16(8-11(2)15-10)14-12(9-17)5-4-6-13(14)18-3/h4-6,9-11,15H,7-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde?
2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde has a molecular weight of 248.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde is sourced from PubChem (CID 76782314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).