2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile

C16H30N2 — CID 106710103

IUPAC2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
SMILESCCCC1CCCCN1CCCCC(C)(C)C#N
InChIInChI=1S/C16H30N2/c1-4-9-15-10-5-7-12-18(15)13-8-6-11-16(2,3)14-17/h15H,4-13H2,1-3H3
InChIKeyCWYPMPZBJGOYBE-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.36
Rot. Bonds7

About 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile

2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile (PubChem CID 106710103) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
PubChem CID106710103
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
SMILESCCCC1CCCCN1CCCCC(C)(C)C#N
InChIInChI=1S/C16H30N2/c1-4-9-15-10-5-7-12-18(15)13-8-6-11-16(2,3)14-17/h15H,4-13H2,1-3H3
InChIKeyCWYPMPZBJGOYBE-UHFFFAOYSA-N
XLogP4.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
CID 106714588
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
1-pentyl-2-propylpiperidine
CID 54429991
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile (CID 106710103) is 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile is CCCC1CCCCN1CCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile?
The InChIKey is CWYPMPZBJGOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-9-15-10-5-7-12-18(15)13-8-6-11-16(2,3)14-17/h15H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile?
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile has a molecular weight of 250.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile is sourced from PubChem (CID 106710103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).