[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol

C22H23FN2O — CID 167867904

IUPAC[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)(c3ccccc3)CC2)c2cccc(F)c2n1
InChIInChI=1S/C22H23FN2O/c1-16-14-20(18-8-5-9-19(23)21(18)24-16)25-12-10-22(15-26,11-13-25)17-6-3-2-4-7-17/h2-9,14,26H,10-13,15H2,1H3
InChIKeySACLCWFXUYDLCU-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.21
Rot. Bonds3

About [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol

[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol (PubChem CID 167867904) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
PubChem CID167867904
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)(c3ccccc3)CC2)c2cccc(F)c2n1
InChIInChI=1S/C22H23FN2O/c1-16-14-20(18-8-5-9-19(23)21(18)24-16)25-12-10-22(15-26,11-13-25)17-6-3-2-4-7-17/h2-9,14,26H,10-13,15H2,1H3
InChIKeySACLCWFXUYDLCU-UHFFFAOYSA-N
XLogP4.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
CID 138001197
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435
1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
CID 133394145
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849

Frequently Asked Questions

What is the IUPAC name of [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol?
The IUPAC name of [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol (CID 167867904) is [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol is Cc1cc(N2CCC(CO)(c3ccccc3)CC2)c2cccc(F)c2n1.
What is the InChIKey of [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol?
The InChIKey is SACLCWFXUYDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-16-14-20(18-8-5-9-19(23)21(18)24-16)25-12-10-22(15-26,11-13-25)17-6-3-2-4-7-17/h2-9,14,26H,10-13,15H2,1H3.
What are the key properties of [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol?
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol has a molecular weight of 350.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol is sourced from PubChem (CID 167867904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).