1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde

C11H15N3O — CID 62698846

IUPAC1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C11H15N3O/c15-9-10-2-6-14(7-3-10)8-11-12-4-1-5-13-11/h1,4-5,9-10H,2-3,6-8H2
InChIKeyFWEHBKYCNPTPJJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.89
Rot. Bonds3

About 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde

1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 62698846) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde
PubChem CID62698846
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C11H15N3O/c15-9-10-2-6-14(7-3-10)8-11-12-4-1-5-13-11/h1,4-5,9-10H,2-3,6-8H2
InChIKeyFWEHBKYCNPTPJJ-UHFFFAOYSA-N
XLogP0.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde (CID 62698846) is 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(Cc2ncccn2)CC1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is FWEHBKYCNPTPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-9-10-2-6-14(7-3-10)8-11-12-4-1-5-13-11/h1,4-5,9-10H,2-3,6-8H2.
What are the key properties of 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde?
1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62698846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).