3,4-dimethylpiperidine

C7H15N — CID 14454414

IUPAC3,4-dimethylpiperidine
SMILESCC1CCNCC1C
InChIInChI=1S/C7H15N/c1-6-3-4-8-5-7(6)2/h6-8H,3-5H2,1-2H3
InChIKeyYNKUJUOSWZNSJW-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.25
Rot. Bonds

About 3,4-dimethylpiperidine

3,4-dimethylpiperidine (PubChem CID 14454414) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3,4-dimethylpiperidine.

Molecular Properties

Compound Name3,4-dimethylpiperidine
PubChem CID14454414
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3,4-dimethylpiperidine
SMILESCC1CCNCC1C
InChIInChI=1S/C7H15N/c1-6-3-4-8-5-7(6)2/h6-8H,3-5H2,1-2H3
InChIKeyYNKUJUOSWZNSJW-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylpiperidine
CID 79081
4-Methylpiperidine
CID 69381
4-Ethylpiperidine
CID 76704
3,5-Dimethylpiperidine
CID 118259
4-Propylpiperidine
CID 31169
3-Ethylpiperidine
CID 202966
4-(Aminomethyl)piperidine
CID 23527
2,3-Dimethylpiperidine
CID 95359
Piperidine, 4-(1,1-dimethylethyl)-
CID 74661
3,3-Dimethylpiperidine
CID 70942
4,4-Dimethylpiperidine
CID 138100
Piperidine, 4-(1-methylethyl)-
CID 140569

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpiperidine?
The IUPAC name of 3,4-dimethylpiperidine (CID 14454414) is 3,4-dimethylpiperidine.
What is the SMILES notation for 3,4-dimethylpiperidine?
The canonical SMILES for 3,4-dimethylpiperidine is CC1CCNCC1C.
What is the InChIKey of 3,4-dimethylpiperidine?
The InChIKey is YNKUJUOSWZNSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-6-3-4-8-5-7(6)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethylpiperidine?
3,4-dimethylpiperidine has a molecular weight of 113.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpiperidine is sourced from PubChem (CID 14454414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).