1,2,2-trimethylpiperidine-3-carbonitrile

C9H16N2 — CID 117019334

IUPAC1,2,2-trimethylpiperidine-3-carbonitrile
SMILESCN1CCCC(C#N)C1(C)C
InChIInChI=1S/C9H16N2/c1-9(2)8(7-10)5-4-6-11(9)3/h8H,4-6H2,1-3H3
InChIKeyVWFQIEATHLXZRP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds

About 1,2,2-trimethylpiperidine-3-carbonitrile

1,2,2-trimethylpiperidine-3-carbonitrile (PubChem CID 117019334) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,2,2-trimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1,2,2-trimethylpiperidine-3-carbonitrile
PubChem CID117019334
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,2,2-trimethylpiperidine-3-carbonitrile
SMILESCN1CCCC(C#N)C1(C)C
InChIInChI=1S/C9H16N2/c1-9(2)8(7-10)5-4-6-11(9)3/h8H,4-6H2,1-3H3
InChIKeyVWFQIEATHLXZRP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylpiperidine-3-carbonitrile?
The IUPAC name of 1,2,2-trimethylpiperidine-3-carbonitrile (CID 117019334) is 1,2,2-trimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1,2,2-trimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1,2,2-trimethylpiperidine-3-carbonitrile is CN1CCCC(C#N)C1(C)C.
What is the InChIKey of 1,2,2-trimethylpiperidine-3-carbonitrile?
The InChIKey is VWFQIEATHLXZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)8(7-10)5-4-6-11(9)3/h8H,4-6H2,1-3H3.
What are the key properties of 1,2,2-trimethylpiperidine-3-carbonitrile?
1,2,2-trimethylpiperidine-3-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117019334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).