4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine

C14H28N2O — CID 134505421

IUPAC4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
SMILESCOC1CN(CC2(C)CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)16-7-5-14(3,6-8-16)11-15-9-13(10-15)17-4/h12-13H,5-11H2,1-4H3
InChIKeyDBCNVHGSOFTTFR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.83
Rot. Bonds4

About 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine

4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine (PubChem CID 134505421) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
PubChem CID134505421
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
SMILESCOC1CN(CC2(C)CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)16-7-5-14(3,6-8-16)11-15-9-13(10-15)17-4/h12-13H,5-11H2,1-4H3
InChIKeyDBCNVHGSOFTTFR-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-(oxetan-3-yl)piperidine
CID 57973935
4-Tert-butyl-1-(oxetan-3-yl)piperidine
CID 58395210
4-(3-Methoxyazetidin-1-yl)-1-methylpiperidine
CID 59284540
4-Ethyl-1-(oxetan-3-yl)piperidine
CID 68260795
2-Methyl-7-(oxetan-3-yl)-2,7-diazaspiro[3.5]nonane
CID 118974102
4-(2-Methyl-2-azaspiro[3.3]heptan-6-yl)morpholine
CID 118974477
4-Methyl-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 124099214
2-(Oxetan-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 124186472
8-(Oxetan-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 129088286
2-Methyl-8-(oxetan-3-yl)-2,8-diazaspiro[4.5]decane
CID 129100652
4-Tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine
CID 129119929
4-Ethyl-4-methyl-1-(oxetan-3-yl)piperidine
CID 129125914

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine (CID 134505421) is 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine is COC1CN(CC2(C)CCN(C(C)C)CC2)C1.
What is the InChIKey of 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
The InChIKey is DBCNVHGSOFTTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)16-7-5-14(3,6-8-16)11-15-9-13(10-15)17-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine has a molecular weight of 240.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 134505421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).