1,2,2-trimethylpiperidine

C8H17N — CID 14222772

IUPAC1,2,2-trimethylpiperidine
SMILESCN1CCCCC1(C)C
InChIInChI=1S/C8H17N/c1-8(2)6-4-5-7-9(8)3/h4-7H2,1-3H3
InChIKeyUWPKMMVHBNGDHJ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.88
Rot. Bonds

About 1,2,2-trimethylpiperidine

1,2,2-trimethylpiperidine (PubChem CID 14222772) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1,2,2-trimethylpiperidine.

Molecular Properties

Compound Name1,2,2-trimethylpiperidine
PubChem CID14222772
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1,2,2-trimethylpiperidine
SMILESCN1CCCCC1(C)C
InChIInChI=1S/C8H17N/c1-8(2)6-4-5-7-9(8)3/h4-7H2,1-3H3
InChIKeyUWPKMMVHBNGDHJ-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylpiperidine?
The IUPAC name of 1,2,2-trimethylpiperidine (CID 14222772) is 1,2,2-trimethylpiperidine.
What is the SMILES notation for 1,2,2-trimethylpiperidine?
The canonical SMILES for 1,2,2-trimethylpiperidine is CN1CCCCC1(C)C.
What is the InChIKey of 1,2,2-trimethylpiperidine?
The InChIKey is UWPKMMVHBNGDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)6-4-5-7-9(8)3/h4-7H2,1-3H3.
What are the key properties of 1,2,2-trimethylpiperidine?
1,2,2-trimethylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylpiperidine is sourced from PubChem (CID 14222772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).