2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile

C12H22N2O — CID 117024723

IUPAC2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
SMILESCOCCN1CCC(CC#N)C(C)(C)C1
InChIInChI=1S/C12H22N2O/c1-12(2)10-14(8-9-15-3)7-5-11(12)4-6-13/h11H,4-5,7-10H2,1-3H3
InChIKeyBADJYGSMBWCDHI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.89
Rot. Bonds4

About 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile

2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile (PubChem CID 117024723) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
PubChem CID117024723
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
SMILESCOCCN1CCC(CC#N)C(C)(C)C1
InChIInChI=1S/C12H22N2O/c1-12(2)10-14(8-9-15-3)7-5-11(12)4-6-13/h11H,4-5,7-10H2,1-3H3
InChIKeyBADJYGSMBWCDHI-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024724
2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024630
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
CID 117024733
2-[1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024762
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
2-[1-(2-methoxyethyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020474
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024761
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427
ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile (CID 117024723) is 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile is COCCN1CCC(CC#N)C(C)(C)C1.
What is the InChIKey of 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile?
The InChIKey is BADJYGSMBWCDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)10-14(8-9-15-3)7-5-11(12)4-6-13/h11H,4-5,7-10H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile?
2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile has a molecular weight of 210.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile is sourced from PubChem (CID 117024723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).