(2S,5R)-1,2,5-trimethylpiperidine

C8H17N — CID 642612

IUPAC(2S,5R)-1,2,5-trimethylpiperidine
SMILESC[C@@H]1CC[C@H](C)N(C)C1
InChIInChI=1S/C8H17N/c1-7-4-5-8(2)9(3)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyIQDIAWZRBAAHNR-SFYZADRCSA-N
MW127.23 g/mol
LogP1.74
Rot. Bonds

About (2S,5R)-1,2,5-trimethylpiperidine

(2S,5R)-1,2,5-trimethylpiperidine (PubChem CID 642612) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2S,5R)-1,2,5-trimethylpiperidine.

Molecular Properties

Compound Name(2S,5R)-1,2,5-trimethylpiperidine
PubChem CID642612
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2S,5R)-1,2,5-trimethylpiperidine
SMILESC[C@@H]1CC[C@H](C)N(C)C1
InChIInChI=1S/C8H17N/c1-7-4-5-8(2)9(3)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyIQDIAWZRBAAHNR-SFYZADRCSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1,2,5-trimethylpiperidine?
The IUPAC name of (2S,5R)-1,2,5-trimethylpiperidine (CID 642612) is (2S,5R)-1,2,5-trimethylpiperidine.
What is the SMILES notation for (2S,5R)-1,2,5-trimethylpiperidine?
The canonical SMILES for (2S,5R)-1,2,5-trimethylpiperidine is C[C@@H]1CC[C@H](C)N(C)C1.
What is the InChIKey of (2S,5R)-1,2,5-trimethylpiperidine?
The InChIKey is IQDIAWZRBAAHNR-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17N/c1-7-4-5-8(2)9(3)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (2S,5R)-1,2,5-trimethylpiperidine?
(2S,5R)-1,2,5-trimethylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1,2,5-trimethylpiperidine is sourced from PubChem (CID 642612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).