1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine

C15H30N2O — CID 142326930

IUPAC1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine
SMILESCCC(C)N1CCC(C)(CN2CC(OC)C2)CC1
InChIInChI=1S/C15H30N2O/c1-5-13(2)17-8-6-15(3,7-9-17)12-16-10-14(11-16)18-4/h13-14H,5-12H2,1-4H3
InChIKeyBGYVRAQIIRQJTB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds5

About 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine

1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine (PubChem CID 142326930) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine
PubChem CID142326930
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine
SMILESCCC(C)N1CCC(C)(CN2CC(OC)C2)CC1
InChIInChI=1S/C15H30N2O/c1-5-13(2)17-8-6-15(3,7-9-17)12-16-10-14(11-16)18-4/h13-14H,5-12H2,1-4H3
InChIKeyBGYVRAQIIRQJTB-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
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 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine?
The IUPAC name of 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine (CID 142326930) is 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine is CCC(C)N1CCC(C)(CN2CC(OC)C2)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine?
The InChIKey is BGYVRAQIIRQJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-13(2)17-8-6-15(3,7-9-17)12-16-10-14(11-16)18-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine?
1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(3-methoxyazetidin-1-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 142326930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).