4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde

C15H22N2O — CID 62134906

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde
SMILESCc1cc(N2CCC(N(C)C)CC2)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-12-10-15(5-4-13(12)11-18)17-8-6-14(7-9-17)16(2)3/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyKESKMLPIPOAOCL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds3

About 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde

4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde (PubChem CID 62134906) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde
PubChem CID62134906
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde
SMILESCc1cc(N2CCC(N(C)C)CC2)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-12-10-15(5-4-13(12)11-18)17-8-6-14(7-9-17)16(2)3/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyKESKMLPIPOAOCL-UHFFFAOYSA-N
XLogP2.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde (CID 62134906) is 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde is Cc1cc(N2CCC(N(C)C)CC2)ccc1C=O.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde?
The InChIKey is KESKMLPIPOAOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-10-15(5-4-13(12)11-18)17-8-6-14(7-9-17)16(2)3/h4-5,10-11,14H,6-9H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde?
4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-2-methylbenzaldehyde is sourced from PubChem (CID 62134906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).