(3S,5R)-1,3,5-trimethylpiperidine

C8H17N — CID 642618

IUPAC(3S,5R)-1,3,5-trimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(C)C1
InChIInChI=1S/C8H17N/c1-7-4-8(2)6-9(3)5-7/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyIGJDIGJIINCEDE-OCAPTIKFSA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds

About (3S,5R)-1,3,5-trimethylpiperidine

(3S,5R)-1,3,5-trimethylpiperidine (PubChem CID 642618) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S,5R)-1,3,5-trimethylpiperidine.

Molecular Properties

Compound Name(3S,5R)-1,3,5-trimethylpiperidine
PubChem CID642618
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S,5R)-1,3,5-trimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(C)C1
InChIInChI=1S/C8H17N/c1-7-4-8(2)6-9(3)5-7/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyIGJDIGJIINCEDE-OCAPTIKFSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1,3,5-trimethylpiperidine?
The IUPAC name of (3S,5R)-1,3,5-trimethylpiperidine (CID 642618) is (3S,5R)-1,3,5-trimethylpiperidine.
What is the SMILES notation for (3S,5R)-1,3,5-trimethylpiperidine?
The canonical SMILES for (3S,5R)-1,3,5-trimethylpiperidine is C[C@@H]1C[C@H](C)CN(C)C1.
What is the InChIKey of (3S,5R)-1,3,5-trimethylpiperidine?
The InChIKey is IGJDIGJIINCEDE-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H17N/c1-7-4-8(2)6-9(3)5-7/h7-8H,4-6H2,1-3H3/t7-,8+.
What are the key properties of (3S,5R)-1,3,5-trimethylpiperidine?
(3S,5R)-1,3,5-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,5R)-1,3,5-trimethylpiperidine is sourced from PubChem (CID 642618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).