(4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine

C13H25NO — CID 166077483

IUPAC(4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine
SMILESCOC1CC(N2CC[C@H](C)C(C)(C)C2)C1
InChIInChI=1S/C13H25NO/c1-10-5-6-14(9-13(10,2)3)11-7-12(8-11)15-4/h10-12H,5-9H2,1-4H3/t10-,11?,12?/m0/s1
InChIKeyILMFNOXSVDJWRD-UNXYVOJBSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds2

About (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine

(4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine (PubChem CID 166077483) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine.

Molecular Properties

Compound Name(4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine
PubChem CID166077483
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine
SMILESCOC1CC(N2CC[C@H](C)C(C)(C)C2)C1
InChIInChI=1S/C13H25NO/c1-10-5-6-14(9-13(10,2)3)11-7-12(8-11)15-4/h10-12H,5-9H2,1-4H3/t10-,11?,12?/m0/s1
InChIKeyILMFNOXSVDJWRD-UNXYVOJBSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-Methylpiperidin-1-yl)cyclobutyl] hypofluorite
CID 156729614
(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
CID 166077805
(3S,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
CID 166496531
(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
CID 166496578
(3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
CID 167217770
(3R,4S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-4-propan-2-ylpiperidine
CID 168081137
4-(2-Fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177009999
3-Fluoro-1-(3-methoxycyclobutyl)-3-methylpiperidine
CID 167554533
4-Methoxy-1,2,2,3-tetramethylpiperidine
CID 23161988
4-Methoxy-1,3-di(propan-2-yl)piperidine
CID 58779014
6-Tert-butyl-5-propan-2-yl-3-propyl-1,3-oxazinane
CID 59996868
5,6-Ditert-butyl-3-propyl-1,3-oxazinane
CID 59996916

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine?
The IUPAC name of (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine (CID 166077483) is (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine.
What is the SMILES notation for (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine?
The canonical SMILES for (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine is COC1CC(N2CC[C@H](C)C(C)(C)C2)C1.
What is the InChIKey of (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine?
The InChIKey is ILMFNOXSVDJWRD-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-6-14(9-13(10,2)3)11-7-12(8-11)15-4/h10-12H,5-9H2,1-4H3/t10-,11?,12?/m0/s1.
What are the key properties of (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine?
(4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-methoxycyclobutyl)-3,3,4-trimethylpiperidine is sourced from PubChem (CID 166077483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).