(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine

C12H23NO — CID 167562526

IUPAC(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine
SMILESCOC1CC(N2C[C@H](C)C[C@H](C)C2)C1
InChIInChI=1S/C12H23NO/c1-9-4-10(2)8-13(7-9)11-5-12(6-11)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11?,12?
InChIKeyFQJJADZLDFTZCR-ZYANWLCNSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds2

About (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine

(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine (PubChem CID 167562526) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine
PubChem CID167562526
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine
SMILESCOC1CC(N2C[C@H](C)C[C@H](C)C2)C1
InChIInChI=1S/C12H23NO/c1-9-4-10(2)8-13(7-9)11-5-12(6-11)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11?,12?
InChIKeyFQJJADZLDFTZCR-ZYANWLCNSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine?
The IUPAC name of (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine (CID 167562526) is (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine is COC1CC(N2C[C@H](C)C[C@H](C)C2)C1.
What is the InChIKey of (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine?
The InChIKey is FQJJADZLDFTZCR-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-4-10(2)8-13(7-9)11-5-12(6-11)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11?,12?.
What are the key properties of (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine?
(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 167562526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).