2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile

C17H24N2 — CID 5105272

IUPAC2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile
SMILESCC1CC(CC#N)(Cc2ccccc2)C(C)CN1C
InChIInChI=1S/C17H24N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9,11-13H2,1-3H3
InChIKeyRNTBUEWRNSUQKM-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile

2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile (PubChem CID 5105272) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile
PubChem CID5105272
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile
SMILESCC1CC(CC#N)(Cc2ccccc2)C(C)CN1C
InChIInChI=1S/C17H24N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9,11-13H2,1-3H3
InChIKeyRNTBUEWRNSUQKM-UHFFFAOYSA-N
XLogP3.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile (CID 5105272) is 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile is CC1CC(CC#N)(Cc2ccccc2)C(C)CN1C.
What is the InChIKey of 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile?
The InChIKey is RNTBUEWRNSUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9,11-13H2,1-3H3.
What are the key properties of 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile?
2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile has a molecular weight of 256.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 5105272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).