2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile

C24H24FN3 — CID 70273799

IUPAC2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile
SMILESCc1cc(CC2CCN(Cc3ccc(F)c(C#N)c3)CC2)c2ccccc2n1
InChIInChI=1S/C24H24FN3/c1-17-12-20(22-4-2-3-5-24(22)27-17)13-18-8-10-28(11-9-18)16-19-6-7-23(25)21(14-19)15-26/h2-7,12,14,18H,8-11,13,16H2,1H3
InChIKeyUPSPHSLNJPNFBD-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.01
Rot. Bonds4

About 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile

2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 70273799) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile
PubChem CID70273799
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile
SMILESCc1cc(CC2CCN(Cc3ccc(F)c(C#N)c3)CC2)c2ccccc2n1
InChIInChI=1S/C24H24FN3/c1-17-12-20(22-4-2-3-5-24(22)27-17)13-18-8-10-28(11-9-18)16-19-6-7-23(25)21(14-19)15-26/h2-7,12,14,18H,8-11,13,16H2,1H3
InChIKeyUPSPHSLNJPNFBD-UHFFFAOYSA-N
XLogP5.01
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 113256160
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883133
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
2-fluoro-5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113256193
methyl 1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylate
CID 103758264
5-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 68916938
2-fluoro-5-[[(3S)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 97320656
2-fluoro-5-[[4-(pyridazin-3-ylamino)piperidin-1-yl]methyl]benzonitrile
CID 154779916
2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
5-[[4-(2-cyanopropan-2-yl)piperazin-1-yl]methyl]-2-fluorobenzonitrile
CID 107881011

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile (CID 70273799) is 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile is Cc1cc(CC2CCN(Cc3ccc(F)c(C#N)c3)CC2)c2ccccc2n1.
What is the InChIKey of 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is UPSPHSLNJPNFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3/c1-17-12-20(22-4-2-3-5-24(22)27-17)13-18-8-10-28(11-9-18)16-19-6-7-23(25)21(14-19)15-26/h2-7,12,14,18H,8-11,13,16H2,1H3.
What are the key properties of 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile?
2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 373.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 70273799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).