2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile

C14H16F2N2 — CID 84756935

IUPAC2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
SMILESCC1CCN(C(C#N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H16F2N2/c1-10-4-6-18(7-5-10)14(9-17)12-3-2-11(15)8-13(12)16/h2-3,8,10,14H,4-7H2,1H3
InChIKeyCBRDBYBERQBLJP-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.26
Rot. Bonds2

About 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile

2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile (PubChem CID 84756935) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
PubChem CID84756935
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
SMILESCC1CCN(C(C#N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H16F2N2/c1-10-4-6-18(7-5-10)14(9-17)12-3-2-11(15)8-13(12)16/h2-3,8,10,14H,4-7H2,1H3
InChIKeyCBRDBYBERQBLJP-UHFFFAOYSA-N
XLogP3.26
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756687
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84746336
2-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756934
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 84747093
2-(2,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420307
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
2-piperidin-1-yl-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058088
2-[4-(4-chlorophenyl)sulfinylphenyl]-2-(4-methylpiperidin-1-yl)acetonitrile
CID 134108745
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile
CID 84817397
2-(4-methylpiperidin-1-yl)-2-(4-nitrophenyl)acetonitrile
CID 84756925

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile (CID 84756935) is 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile is CC1CCN(C(C#N)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile?
The InChIKey is CBRDBYBERQBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-10-4-6-18(7-5-10)14(9-17)12-3-2-11(15)8-13(12)16/h2-3,8,10,14H,4-7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile?
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile has a molecular weight of 250.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 84756935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).