(2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine

C9H19NO — CID 145399843

IUPAC(2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine
SMILESCO[C@]1(C)CCN[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H19NO/c1-7-8(2)10-6-5-9(7,3)11-4/h7-8,10H,5-6H2,1-4H3/t7-,8-,9+/m0/s1
InChIKeyLNIMFULWINILRY-XHNCKOQMSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds1

About (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine

(2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine (PubChem CID 145399843) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine.

Molecular Properties

Compound Name(2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine
PubChem CID145399843
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine
SMILESCO[C@]1(C)CCN[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H19NO/c1-7-8(2)10-6-5-9(7,3)11-4/h7-8,10H,5-6H2,1-4H3/t7-,8-,9+/m0/s1
InChIKeyLNIMFULWINILRY-XHNCKOQMSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine?
The IUPAC name of (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine (CID 145399843) is (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine.
What is the SMILES notation for (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine?
The canonical SMILES for (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine is CO[C@]1(C)CCN[C@@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine?
The InChIKey is LNIMFULWINILRY-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-8(2)10-6-5-9(7,3)11-4/h7-8,10H,5-6H2,1-4H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine?
(2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-methoxy-2,3,4-trimethylpiperidine is sourced from PubChem (CID 145399843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).