N,N-dimethylformamide;piperidine

C8H18N2O — CID 23501187

IUPACN,N-dimethylformamide;piperidine
SMILESC1CCNCC1.CN(C)C=O
InChIInChI=1S/C5H11N.C3H7NO/c1-2-4-6-5-3-1;1-4(2)3-5/h6H,1-5H2;3H,1-2H3
InChIKeyCMWYAOXYQATXSI-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.46
Rot. Bonds1

About N,N-dimethylformamide;piperidine

N,N-dimethylformamide;piperidine (PubChem CID 23501187) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N,N-dimethylformamide;piperidine.

Molecular Properties

Compound NameN,N-dimethylformamide;piperidine
PubChem CID23501187
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN,N-dimethylformamide;piperidine
SMILESC1CCNCC1.CN(C)C=O
InChIInChI=1S/C5H11N.C3H7NO/c1-2-4-6-5-3-1;1-4(2)3-5/h6H,1-5H2;3H,1-2H3
InChIKeyCMWYAOXYQATXSI-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 N,N-dimethylformamide;piperidine?
The IUPAC name of N,N-dimethylformamide;piperidine (CID 23501187) is N,N-dimethylformamide;piperidine.
What is the SMILES notation for N,N-dimethylformamide;piperidine?
The canonical SMILES for N,N-dimethylformamide;piperidine is C1CCNCC1.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;piperidine?
The InChIKey is CMWYAOXYQATXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H7NO/c1-2-4-6-5-3-1;1-4(2)3-5/h6H,1-5H2;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;piperidine?
N,N-dimethylformamide;piperidine has a molecular weight of 158.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;piperidine is sourced from PubChem (CID 23501187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).