1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde

C10H13ClN4O2 — CID 62858844

IUPAC1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde
SMILESCOc1nc(Cl)nc(N2CCCCC2C=O)n1
InChIInChI=1S/C10H13ClN4O2/c1-17-10-13-8(11)12-9(14-10)15-5-3-2-4-7(15)6-16/h6-7H,2-5H2,1H3
InChIKeyBPJIWTKDEYWXHZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.09
Rot. Bonds3

About 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde (PubChem CID 62858844) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde
PubChem CID62858844
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde
SMILESCOc1nc(Cl)nc(N2CCCCC2C=O)n1
InChIInChI=1S/C10H13ClN4O2/c1-17-10-13-8(11)12-9(14-10)15-5-3-2-4-7(15)6-16/h6-7H,2-5H2,1H3
InChIKeyBPJIWTKDEYWXHZ-UHFFFAOYSA-N
XLogP1.09
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde (CID 62858844) is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde is COc1nc(Cl)nc(N2CCCCC2C=O)n1.
What is the InChIKey of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde?
The InChIKey is BPJIWTKDEYWXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-17-10-13-8(11)12-9(14-10)15-5-3-2-4-7(15)6-16/h6-7H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde?
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde has a molecular weight of 256.69 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62858844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).