4-(4-methylpiperidin-1-yl)benzaldehyde

C13H17NO — CID 19621385

IUPAC4-(4-methylpiperidin-1-yl)benzaldehyde
SMILESCC1CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C13H17NO/c1-11-6-8-14(9-7-11)13-4-2-12(10-15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyHRKZATGTUGYPBO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.74
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)benzaldehyde

4-(4-methylpiperidin-1-yl)benzaldehyde (PubChem CID 19621385) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)benzaldehyde
PubChem CID19621385
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(4-methylpiperidin-1-yl)benzaldehyde
SMILESCC1CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C13H17NO/c1-11-6-8-14(9-7-11)13-4-2-12(10-15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyHRKZATGTUGYPBO-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.74
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-methylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-(4-methylpiperidin-1-yl)benzaldehyde (CID 19621385) is 4-(4-methylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)benzaldehyde is CC1CCN(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)benzaldehyde?
The InChIKey is HRKZATGTUGYPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-6-8-14(9-7-11)13-4-2-12(10-15)3-5-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)benzaldehyde?
4-(4-methylpiperidin-1-yl)benzaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 19621385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).