4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde

C12H16N2O — CID 175396655

IUPAC4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C12H16N2O/c15-10-14-7-3-12(4-8-14)9-11-1-5-13-6-2-11/h1-2,5-6,10,12H,3-4,7-9H2
InChIKeyZDMGYMORDPIBRV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.49
Rot. Bonds3

About 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde

4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde (PubChem CID 175396655) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde
PubChem CID175396655
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C12H16N2O/c15-10-14-7-3-12(4-8-14)9-11-1-5-13-6-2-11/h1-2,5-6,10,12H,3-4,7-9H2
InChIKeyZDMGYMORDPIBRV-UHFFFAOYSA-N
XLogP1.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.49
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-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde (CID 175396655) is 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde is O=CN1CCC(Cc2ccncc2)CC1.
What is the InChIKey of 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde?
The InChIKey is ZDMGYMORDPIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-10-14-7-3-12(4-8-14)9-11-1-5-13-6-2-11/h1-2,5-6,10,12H,3-4,7-9H2.
What are the key properties of 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde?
4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 175396655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).