3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile

C14H25N3O — CID 115248229

IUPAC3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
SMILESCN1CCC(CCN(C)CC2(C#N)COC2)CC1
InChIInChI=1S/C14H25N3O/c1-16-6-3-13(4-7-16)5-8-17(2)10-14(9-15)11-18-12-14/h13H,3-8,10-12H2,1-2H3
InChIKeyCDQJGLYDYQIWAJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.19
Rot. Bonds5

About 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile

3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248229) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
PubChem CID115248229
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
SMILESCN1CCC(CCN(C)CC2(C#N)COC2)CC1
InChIInChI=1S/C14H25N3O/c1-16-6-3-13(4-7-16)5-8-17(2)10-14(9-15)11-18-12-14/h13H,3-8,10-12H2,1-2H3
InChIKeyCDQJGLYDYQIWAJ-UHFFFAOYSA-N
XLogP1.19
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.19
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-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile (CID 115248229) is 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile is CN1CCC(CCN(C)CC2(C#N)COC2)CC1.
What is the InChIKey of 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile?
The InChIKey is CDQJGLYDYQIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-6-3-13(4-7-16)5-8-17(2)10-14(9-15)11-18-12-14/h13H,3-8,10-12H2,1-2H3.
What are the key properties of 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile?
3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile has a molecular weight of 251.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).