3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile

C13H23N3O — CID 115248115

IUPAC3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
SMILESCN1CCC(CN(C)CC2(C#N)COC2)CC1
InChIInChI=1S/C13H23N3O/c1-15-5-3-12(4-6-15)7-16(2)9-13(8-14)10-17-11-13/h12H,3-7,9-11H2,1-2H3
InChIKeyAWMYJOIKOYGJRF-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.80
Rot. Bonds4

About 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile

3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248115) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
PubChem CID115248115
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
SMILESCN1CCC(CN(C)CC2(C#N)COC2)CC1
InChIInChI=1S/C13H23N3O/c1-15-5-3-12(4-6-15)7-16(2)9-13(8-14)10-17-11-13/h12H,3-7,9-11H2,1-2H3
InChIKeyAWMYJOIKOYGJRF-UHFFFAOYSA-N
XLogP0.80
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(Methoxymethyl)piperidin-1-yl]propanenitrile
CID 63971330
1-(3-Methoxy-2,2-dimethylpropyl)-4-methylpiperidine
CID 69695888
4-Ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 118219368
4-Ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 118492181
4-Ethyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
CID 118492184
4,4-Dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 122667567
4,4-Dimethyl-1-(oxetan-3-ylmethyl)piperidine
CID 122667575
1-(Oxetan-3-ylmethyl)-4-propan-2-ylpiperidine
CID 124118965
4-Tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
CID 126501659
4-Methyl-1-[(3-methyloxetan-3-yl)methyl]-4-propan-2-ylpiperidine
CID 126540013
4-Methyl-1-(oxetan-3-ylmethyl)piperidine
CID 130694292
7-(3-Methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
CID 134351427

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile (CID 115248115) is 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile is CN1CCC(CN(C)CC2(C#N)COC2)CC1.
What is the InChIKey of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile?
The InChIKey is AWMYJOIKOYGJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-5-3-12(4-6-15)7-16(2)9-13(8-14)10-17-11-13/h12H,3-7,9-11H2,1-2H3.
What are the key properties of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile?
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile has a molecular weight of 237.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).