4-(4,4-diethylpiperidin-1-yl)benzaldehyde

C16H23NO — CID 63158669

IUPAC4-(4,4-diethylpiperidin-1-yl)benzaldehyde
SMILESCCC1(CC)CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-3-16(4-2)9-11-17(12-10-16)15-7-5-14(13-18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyOXMSUDQEELWZSJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.91
Rot. Bonds4

About 4-(4,4-diethylpiperidin-1-yl)benzaldehyde

4-(4,4-diethylpiperidin-1-yl)benzaldehyde (PubChem CID 63158669) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)benzaldehyde
PubChem CID63158669
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(4,4-diethylpiperidin-1-yl)benzaldehyde
SMILESCCC1(CC)CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-3-16(4-2)9-11-17(12-10-16)15-7-5-14(13-18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyOXMSUDQEELWZSJ-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4,4-diethylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)benzaldehyde (CID 63158669) is 4-(4,4-diethylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)benzaldehyde is CCC1(CC)CCN(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)benzaldehyde?
The InChIKey is OXMSUDQEELWZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-16(4-2)9-11-17(12-10-16)15-7-5-14(13-18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)benzaldehyde?
4-(4,4-diethylpiperidin-1-yl)benzaldehyde has a molecular weight of 245.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 63158669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).