(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine

C11H23NO — CID 89213368

IUPAC(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)[C@@H]1CNCC[C@@H]1OC
InChIInChI=1S/C11H23NO/c1-5-11(2,3)9-8-12-7-6-10(9)13-4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyNWONCHAJWQSFKI-ZJUUUORDSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds3

About (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine

(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine (PubChem CID 89213368) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine
PubChem CID89213368
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)[C@@H]1CNCC[C@@H]1OC
InChIInChI=1S/C11H23NO/c1-5-11(2,3)9-8-12-7-6-10(9)13-4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyNWONCHAJWQSFKI-ZJUUUORDSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine?
The IUPAC name of (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine (CID 89213368) is (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine.
What is the SMILES notation for (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine?
The canonical SMILES for (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine is CCC(C)(C)[C@@H]1CNCC[C@@H]1OC.
What is the InChIKey of (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine?
The InChIKey is NWONCHAJWQSFKI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(2,3)9-8-12-7-6-10(9)13-4/h9-10,12H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine?
(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine is sourced from PubChem (CID 89213368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).