2,2-dimethyl-1-propylpiperidine-4-carbonitrile

C11H20N2 — CID 117020237

IUPAC2,2-dimethyl-1-propylpiperidine-4-carbonitrile
SMILESCCCN1CCC(C#N)CC1(C)C
InChIInChI=1S/C11H20N2/c1-4-6-13-7-5-10(9-12)8-11(13,2)3/h10H,4-8H2,1-3H3
InChIKeyFBWACIGMUZZIAA-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds2

About 2,2-dimethyl-1-propylpiperidine-4-carbonitrile

2,2-dimethyl-1-propylpiperidine-4-carbonitrile (PubChem CID 117020237) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-propylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-propylpiperidine-4-carbonitrile
PubChem CID117020237
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,2-dimethyl-1-propylpiperidine-4-carbonitrile
SMILESCCCN1CCC(C#N)CC1(C)C
InChIInChI=1S/C11H20N2/c1-4-6-13-7-5-10(9-12)8-11(13,2)3/h10H,4-8H2,1-3H3
InChIKeyFBWACIGMUZZIAA-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxypropyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020247
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
1-cyclopropyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020239
1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020276
butane;1-[(1-methylcyclopropyl)methyl]piperidine-4-carbonitrile
CID 166141846
1-methylpiperidine-4-carbonitrile
CID 11789206
2-[1-(2-methoxyethyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020474
2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020477
(1S,5R)-8-propyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 70026794
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
(3R)-1-methylpyrrolidine-3-carbonitrile
CID 67523043
3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
CID 171511357

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propylpiperidine-4-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-propylpiperidine-4-carbonitrile (CID 117020237) is 2,2-dimethyl-1-propylpiperidine-4-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-propylpiperidine-4-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-propylpiperidine-4-carbonitrile is CCCN1CCC(C#N)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-propylpiperidine-4-carbonitrile?
The InChIKey is FBWACIGMUZZIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-13-7-5-10(9-12)8-11(13,2)3/h10H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-propylpiperidine-4-carbonitrile?
2,2-dimethyl-1-propylpiperidine-4-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propylpiperidine-4-carbonitrile is sourced from PubChem (CID 117020237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).