(3S,4R)-1,3,4-trimethylpiperidine

C8H17N — CID 14454424

IUPAC(3S,4R)-1,3,4-trimethylpiperidine
SMILESC[C@@H]1CCN(C)C[C@H]1C
InChIInChI=1S/C8H17N/c1-7-4-5-9(3)6-8(7)2/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeySGEACAMHETYOIB-HTQZYQBOSA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds

About (3S,4R)-1,3,4-trimethylpiperidine

(3S,4R)-1,3,4-trimethylpiperidine (PubChem CID 14454424) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S,4R)-1,3,4-trimethylpiperidine.

Molecular Properties

Compound Name(3S,4R)-1,3,4-trimethylpiperidine
PubChem CID14454424
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S,4R)-1,3,4-trimethylpiperidine
SMILESC[C@@H]1CCN(C)C[C@H]1C
InChIInChI=1S/C8H17N/c1-7-4-5-9(3)6-8(7)2/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeySGEACAMHETYOIB-HTQZYQBOSA-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

1,3,4-trimethylpiperidine
CID 14454423
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 (3S,4R)-1,3,4-trimethylpiperidine?
The IUPAC name of (3S,4R)-1,3,4-trimethylpiperidine (CID 14454424) is (3S,4R)-1,3,4-trimethylpiperidine.
What is the SMILES notation for (3S,4R)-1,3,4-trimethylpiperidine?
The canonical SMILES for (3S,4R)-1,3,4-trimethylpiperidine is C[C@@H]1CCN(C)C[C@H]1C.
What is the InChIKey of (3S,4R)-1,3,4-trimethylpiperidine?
The InChIKey is SGEACAMHETYOIB-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17N/c1-7-4-5-9(3)6-8(7)2/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-1,3,4-trimethylpiperidine?
(3S,4R)-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 (3S,4R)-1,3,4-trimethylpiperidine is sourced from PubChem (CID 14454424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).