1,2,6-trimethylpiperidine-2-carbonitrile

C9H16N2 — CID 162414463

IUPAC1,2,6-trimethylpiperidine-2-carbonitrile
SMILESCC1CCCC(C)(C#N)N1C
InChIInChI=1S/C9H16N2/c1-8-5-4-6-9(2,7-10)11(8)3/h8H,4-6H2,1-3H3
InChIKeyQHICBXHLMKQHST-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.77
Rot. Bonds

About 1,2,6-trimethylpiperidine-2-carbonitrile

1,2,6-trimethylpiperidine-2-carbonitrile (PubChem CID 162414463) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,2,6-trimethylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name1,2,6-trimethylpiperidine-2-carbonitrile
PubChem CID162414463
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,2,6-trimethylpiperidine-2-carbonitrile
SMILESCC1CCCC(C)(C#N)N1C
InChIInChI=1S/C9H16N2/c1-8-5-4-6-9(2,7-10)11(8)3/h8H,4-6H2,1-3H3
InChIKeyQHICBXHLMKQHST-UHFFFAOYSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethylpiperidine-2-carbonitrile?
The IUPAC name of 1,2,6-trimethylpiperidine-2-carbonitrile (CID 162414463) is 1,2,6-trimethylpiperidine-2-carbonitrile.
What is the SMILES notation for 1,2,6-trimethylpiperidine-2-carbonitrile?
The canonical SMILES for 1,2,6-trimethylpiperidine-2-carbonitrile is CC1CCCC(C)(C#N)N1C.
What is the InChIKey of 1,2,6-trimethylpiperidine-2-carbonitrile?
The InChIKey is QHICBXHLMKQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-4-6-9(2,7-10)11(8)3/h8H,4-6H2,1-3H3.
What are the key properties of 1,2,6-trimethylpiperidine-2-carbonitrile?
1,2,6-trimethylpiperidine-2-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethylpiperidine-2-carbonitrile is sourced from PubChem (CID 162414463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).