2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane

C24H32N2 — CID 145395264

IUPAC2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane
SMILESCC.CC1(CC#N)CCN(Cc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2.C2H6/c1-22(11-14-23)12-15-24(16-13-22)18-21-9-7-20(8-10-21)17-19-5-3-2-4-6-19;1-2/h2-10H,11-13,15-18H2,1H3;1-2H3
InChIKeyCUARKRCIZUWUAH-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.82
Rot. Bonds5

About 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane

2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane (PubChem CID 145395264) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane.

Molecular Properties

Compound Name2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane
PubChem CID145395264
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane
SMILESCC.CC1(CC#N)CCN(Cc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2.C2H6/c1-22(11-14-23)12-15-24(16-13-22)18-21-9-7-20(8-10-21)17-19-5-3-2-4-6-19;1-2/h2-10H,11-13,15-18H2,1H3;1-2H3
InChIKeyCUARKRCIZUWUAH-UHFFFAOYSA-N
XLogP5.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
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-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane
CID 145394795
N-[3-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 147386176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
2-[4-(2-methylbutan-2-yl)-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]acetonitrile
CID 170119952
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane?
The IUPAC name of 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane (CID 145395264) is 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane.
What is the SMILES notation for 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane?
The canonical SMILES for 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane is CC.CC1(CC#N)CCN(Cc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane?
The InChIKey is CUARKRCIZUWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.C2H6/c1-22(11-14-23)12-15-24(16-13-22)18-21-9-7-20(8-10-21)17-19-5-3-2-4-6-19;1-2/h2-10H,11-13,15-18H2,1H3;1-2H3.
What are the key properties of 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane?
2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane has a molecular weight of 348.53 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane is sourced from PubChem (CID 145395264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).