ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile

C24H32N2 — CID 145395051

IUPACethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
SMILESCC.Cc1cc(CN2CCC(C)(CC#N)CC2)ccc1-c1ccccc1
InChIInChI=1S/C22H26N2.C2H6/c1-18-16-19(8-9-21(18)20-6-4-3-5-7-20)17-24-14-11-22(2,10-13-23)12-15-24;1-2/h3-9,16H,10-12,14-15,17H2,1-2H3;1-2H3
InChIKeyRRRZQEWVBLYZCX-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.20
Rot. Bonds4

About ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile

ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile (PubChem CID 145395051) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Nameethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
PubChem CID145395051
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Nameethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
SMILESCC.Cc1cc(CN2CCC(C)(CC#N)CC2)ccc1-c1ccccc1
InChIInChI=1S/C22H26N2.C2H6/c1-18-16-19(8-9-21(18)20-6-4-3-5-7-20)17-24-14-11-22(2,10-13-23)12-15-24;1-2/h3-9,16H,10-12,14-15,17H2,1-2H3;1-2H3
InChIKeyRRRZQEWVBLYZCX-UHFFFAOYSA-N
XLogP6.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
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-(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
ethane;2-[1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoro-4-methylpiperidin-4-yl]acetonitrile
CID 145394804
N-[3-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 147386176
1-[(4-methyl-3-phenylphenyl)methyl]piperazine
CID 117420356
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
ethane;2-[3-fluoro-1-[(2-fluoro-3-hydroxy-4-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile
CID 145395276
1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile
CID 58012530

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
The IUPAC name of ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile (CID 145395051) is ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
The canonical SMILES for ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile is CC.Cc1cc(CN2CCC(C)(CC#N)CC2)ccc1-c1ccccc1.
What is the InChIKey of ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
The InChIKey is RRRZQEWVBLYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.C2H6/c1-18-16-19(8-9-21(18)20-6-4-3-5-7-20)17-24-14-11-22(2,10-13-23)12-15-24;1-2/h3-9,16H,10-12,14-15,17H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile?
ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile has a molecular weight of 348.53 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 145395051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).