5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile

C14H26N2 — CID 65257406

IUPAC5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCC1CCCC(C)N1CCCC(C)(C)C#N
InChIInChI=1S/C14H26N2/c1-12-7-5-8-13(2)16(12)10-6-9-14(3,4)11-15/h12-13H,5-10H2,1-4H3
InChIKeyPBRNZVUVYHMULH-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.58
Rot. Bonds4

About 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile

5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257406) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65257406
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCC1CCCC(C)N1CCCC(C)(C)C#N
InChIInChI=1S/C14H26N2/c1-12-7-5-8-13(2)16(12)10-6-9-14(3,4)11-15/h12-13H,5-10H2,1-4H3
InChIKeyPBRNZVUVYHMULH-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1,2,5,5-tetramethyl-
CID 12172229
1,2-Dimethylpiperidine-2-carbonitrile
CID 68496862
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-4-ethylhexanenitrile
CID 164641985
3-(2-Ethylpiperidin-1-yl)propionitrile
CID 6422984
4-(2-Ethylpiperidin-1-yl)butironitrile
CID 6424204
3-Ethyl-1-methylpiperidine-2-carbonitrile
CID 12581464
1,2,6-Trimethylpiperidine-2-carbonitrile
CID 162414463
1-(3-Fluoropropyl)-3-methylpiperidine-3-carbonitrile
CID 130684609
1-(tert-Butyl)-2-cyano-3-methyl-piperidine
CID 596551
1-(tert-Butyl)-2-cyano-3,3-dimethylpiperidine
CID 601512
N-(4-Cyanobutyl)-2-ethylpiperidine
CID 6424517
3,3-Dimethyl-1-propan-2-ylpiperidine-2-carbonitrile
CID 14356853

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile (CID 65257406) is 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile is CC1CCCC(C)N1CCCC(C)(C)C#N.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is PBRNZVUVYHMULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-7-5-8-13(2)16(12)10-6-9-14(3,4)11-15/h12-13H,5-10H2,1-4H3.
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).