2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane

C17H26N2 — CID 145395092

IUPAC2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
SMILESCC.CC1(CC#N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2.C2H6/c1-15(7-10-16)8-11-17(12-9-15)13-14-5-3-2-4-6-14;1-2/h2-6H,7-9,11-13H2,1H3;1-2H3
InChIKeyGDDFNHCKDMAUHR-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.23
Rot. Bonds3

About 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane

2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane (PubChem CID 145395092) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane.

Molecular Properties

Compound Name2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
PubChem CID145395092
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
SMILESCC.CC1(CC#N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2.C2H6/c1-15(7-10-16)8-11-17(12-9-15)13-14-5-3-2-4-6-14;1-2/h2-6H,7-9,11-13H2,1H3;1-2H3
InChIKeyGDDFNHCKDMAUHR-UHFFFAOYSA-N
XLogP4.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane
CID 145395264
ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
CID 145395051
ethane;2-[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 145394661
2-[4-methyl-1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 145394409
N-[3-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 147386176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane
CID 145394795
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane?
The IUPAC name of 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane (CID 145395092) is 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane.
What is the SMILES notation for 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane?
The canonical SMILES for 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane is CC.CC1(CC#N)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane?
The InChIKey is GDDFNHCKDMAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C2H6/c1-15(7-10-16)8-11-17(12-9-15)13-14-5-3-2-4-6-14;1-2/h2-6H,7-9,11-13H2,1H3;1-2H3.
What are the key properties of 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane?
2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane has a molecular weight of 258.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane is sourced from PubChem (CID 145395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).