1,2-dimethylpiperidine;formamide

C8H18N2O — CID 69034748

IUPAC1,2-dimethylpiperidine;formamide
SMILESCC1CCCCN1C.NC=O
InChIInChI=1S/C7H15N.CH3NO/c1-7-5-3-4-6-8(7)2;2-1-3/h7H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyPKXQFXKHEADKQU-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.59
Rot. Bonds

About 1,2-dimethylpiperidine;formamide

1,2-dimethylpiperidine;formamide (PubChem CID 69034748) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1,2-dimethylpiperidine;formamide.

Molecular Properties

Compound Name1,2-dimethylpiperidine;formamide
PubChem CID69034748
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1,2-dimethylpiperidine;formamide
SMILESCC1CCCCN1C.NC=O
InChIInChI=1S/C7H15N.CH3NO/c1-7-5-3-4-6-8(7)2;2-1-3/h7H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyPKXQFXKHEADKQU-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.59
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 1,2-dimethylpiperidine;formamide?
The IUPAC name of 1,2-dimethylpiperidine;formamide (CID 69034748) is 1,2-dimethylpiperidine;formamide.
What is the SMILES notation for 1,2-dimethylpiperidine;formamide?
The canonical SMILES for 1,2-dimethylpiperidine;formamide is CC1CCCCN1C.NC=O.
What is the InChIKey of 1,2-dimethylpiperidine;formamide?
The InChIKey is PKXQFXKHEADKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH3NO/c1-7-5-3-4-6-8(7)2;2-1-3/h7H,3-6H2,1-2H3;1H,(H2,2,3).
What are the key properties of 1,2-dimethylpiperidine;formamide?
1,2-dimethylpiperidine;formamide has a molecular weight of 158.25 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidine;formamide is sourced from PubChem (CID 69034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).