2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile

C13H25N3 — CID 117020477

IUPAC2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
SMILESCN(C)CCN1CCC(CC#N)CC1(C)C
InChIInChI=1S/C13H25N3/c1-13(2)11-12(5-7-14)6-8-16(13)10-9-15(3)4/h12H,5-6,8-11H2,1-4H3
InChIKeyQBENQYYEEWDSAL-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.95
Rot. Bonds4

About 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile

2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile (PubChem CID 117020477) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
PubChem CID117020477
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
SMILESCN(C)CCN1CCC(CC#N)CC1(C)C
InChIInChI=1S/C13H25N3/c1-13(2)11-12(5-7-14)6-8-16(13)10-9-15(3)4/h12H,5-6,8-11H2,1-4H3
InChIKeyQBENQYYEEWDSAL-UHFFFAOYSA-N
XLogP1.95
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyethyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020474
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
CID 117020468
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018828
2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018513
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237
2-[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020501
2-[5,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]acetonitrile
CID 117018587
2-(3,3-diethylcyclobutyl)acetonitrile
CID 70345982
2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile
CID 117017458
3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 131196763

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile (CID 117020477) is 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile is CN(C)CCN1CCC(CC#N)CC1(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile?
The InChIKey is QBENQYYEEWDSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2)11-12(5-7-14)6-8-16(13)10-9-15(3)4/h12H,5-6,8-11H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile?
2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile has a molecular weight of 223.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile is sourced from PubChem (CID 117020477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).