3-methyl-4-piperidin-1-ylbenzaldehyde

C13H17NO — CID 7148635

IUPAC3-methyl-4-piperidin-1-ylbenzaldehyde
SMILESCc1cc(C=O)ccc1N1CCCCC1
InChIInChI=1S/C13H17NO/c1-11-9-12(10-15)5-6-13(11)14-7-3-2-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyPFELXGCZCNQNEM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds2

About 3-methyl-4-piperidin-1-ylbenzaldehyde

3-methyl-4-piperidin-1-ylbenzaldehyde (PubChem CID 7148635) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-4-piperidin-1-ylbenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-piperidin-1-ylbenzaldehyde
PubChem CID7148635
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-methyl-4-piperidin-1-ylbenzaldehyde
SMILESCc1cc(C=O)ccc1N1CCCCC1
InChIInChI=1S/C13H17NO/c1-11-9-12(10-15)5-6-13(11)14-7-3-2-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyPFELXGCZCNQNEM-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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 3-methyl-4-piperidin-1-ylbenzaldehyde?
The IUPAC name of 3-methyl-4-piperidin-1-ylbenzaldehyde (CID 7148635) is 3-methyl-4-piperidin-1-ylbenzaldehyde.
What is the SMILES notation for 3-methyl-4-piperidin-1-ylbenzaldehyde?
The canonical SMILES for 3-methyl-4-piperidin-1-ylbenzaldehyde is Cc1cc(C=O)ccc1N1CCCCC1.
What is the InChIKey of 3-methyl-4-piperidin-1-ylbenzaldehyde?
The InChIKey is PFELXGCZCNQNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-9-12(10-15)5-6-13(11)14-7-3-2-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 3-methyl-4-piperidin-1-ylbenzaldehyde?
3-methyl-4-piperidin-1-ylbenzaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-1-ylbenzaldehyde is sourced from PubChem (CID 7148635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).