3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde

C16H23NO2 — CID 62330700

IUPAC3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(C)CC1C
InChIInChI=1S/C16H23NO2/c1-12-6-7-17(13(2)8-12)10-15-9-14(11-18)4-5-16(15)19-3/h4-5,9,11-13H,6-8,10H2,1-3H3
InChIKeyJOICKJLUDCWWFP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds4

About 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde

3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde (PubChem CID 62330700) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
PubChem CID62330700
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(C)CC1C
InChIInChI=1S/C16H23NO2/c1-12-6-7-17(13(2)8-12)10-15-9-14(11-18)4-5-16(15)19-3/h4-5,9,11-13H,6-8,10H2,1-3H3
InChIKeyJOICKJLUDCWWFP-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
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 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde (CID 62330700) is 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1CN1CCC(C)CC1C.
What is the InChIKey of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
The InChIKey is JOICKJLUDCWWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-7-17(13(2)8-12)10-15-9-14(11-18)4-5-16(15)19-3/h4-5,9,11-13H,6-8,10H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde has a molecular weight of 261.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 62330700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).