1,3,4-trimethylpiperidine

C8H17N — CID 14454423

IUPAC1,3,4-trimethylpiperidine
SMILESCC1CCN(C)CC1C
InChIInChI=1S/C8H17N/c1-7-4-5-9(3)6-8(7)2/h7-8H,4-6H2,1-3H3
InChIKeySGEACAMHETYOIB-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds

About 1,3,4-trimethylpiperidine

1,3,4-trimethylpiperidine (PubChem CID 14454423) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1,3,4-trimethylpiperidine.

Molecular Properties

Compound Name1,3,4-trimethylpiperidine
PubChem CID14454423
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1,3,4-trimethylpiperidine
SMILESCC1CCN(C)CC1C
InChIInChI=1S/C8H17N/c1-7-4-5-9(3)6-8(7)2/h7-8H,4-6H2,1-3H3
InChIKeySGEACAMHETYOIB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
ethane;1,3,4-trimethylpiperidine
CID 142222872
(4R)-1,4,5-trimethylazepane
CID 89169089
1,3,4-trimethylazepane
CID 59081993
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
1,4,5-trimethylazepane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine;1,3,4-trimethyl-2,5-dihydropyrrole;1,3,4-trimethylpiperidine;1,3,4-trimethylpyrrolidine;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 159190601
(3R)-1,3-dimethylpyrrolidine
CID 58412242
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylpiperidine?
The IUPAC name of 1,3,4-trimethylpiperidine (CID 14454423) is 1,3,4-trimethylpiperidine.
What is the SMILES notation for 1,3,4-trimethylpiperidine?
The canonical SMILES for 1,3,4-trimethylpiperidine is CC1CCN(C)CC1C.
What is the InChIKey of 1,3,4-trimethylpiperidine?
The InChIKey is SGEACAMHETYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7-4-5-9(3)6-8(7)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,3,4-trimethylpiperidine?
1,3,4-trimethylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylpiperidine is sourced from PubChem (CID 14454423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).