2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde

C16H24N2O3 — CID 58423333

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(N2CCC(N(C)C)CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-17(2)13-5-7-18(8-6-13)14-10-16(21-4)15(20-3)9-12(14)11-19/h9-11,13H,5-8H2,1-4H3
InChIKeyRMRUTBQTBYTBPN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds5

About 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde

2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde (PubChem CID 58423333) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde
PubChem CID58423333
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(N2CCC(N(C)C)CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-17(2)13-5-7-18(8-6-13)14-10-16(21-4)15(20-3)9-12(14)11-19/h9-11,13H,5-8H2,1-4H3
InChIKeyRMRUTBQTBYTBPN-UHFFFAOYSA-N
XLogP2.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde (CID 58423333) is 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde is COc1cc(C=O)c(N2CCC(N(C)C)CC2)cc1OC.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde?
The InChIKey is RMRUTBQTBYTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)13-5-7-18(8-6-13)14-10-16(21-4)15(20-3)9-12(14)11-19/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde?
2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde has a molecular weight of 292.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 58423333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).