[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol

C22H23FN2O2 — CID 97453459

IUPAC[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1N1CCC[C@@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O2/c23-19-7-9-20(10-8-19)27-15-16-4-3-11-25(13-16)22-18(14-26)12-17-5-1-2-6-21(17)24-22/h1-2,5-10,12,16,26H,3-4,11,13-15H2/t16-/m1/s1
InChIKeyTTWCJVFVVLECBJ-MRXNPFEDSA-N
MW366.44 g/mol
LogP4.16
Rot. Bonds5

About [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol

[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol (PubChem CID 97453459) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
PubChem CID97453459
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1N1CCC[C@@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O2/c23-19-7-9-20(10-8-19)27-15-16-4-3-11-25(13-16)22-18(14-26)12-17-5-1-2-6-21(17)24-22/h1-2,5-10,12,16,26H,3-4,11,13-15H2/t16-/m1/s1
InChIKeyTTWCJVFVVLECBJ-MRXNPFEDSA-N
XLogP4.16
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97438095
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713
ethyl 1-[3-(hydroxymethyl)quinolin-2-yl]piperidine-3-carboxylate
CID 91662062
2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
CID 133308282
N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
CID 96567399
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
CID 133337541
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040538
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
CID 133411847

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol (CID 97453459) is [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol is OCc1cc2ccccc2nc1N1CCC[C@@H](COc2ccc(F)cc2)C1.
What is the InChIKey of [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
The InChIKey is TTWCJVFVVLECBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-7-9-20(10-8-19)27-15-16-4-3-11-25(13-16)22-18(14-26)12-17-5-1-2-6-21(17)24-22/h1-2,5-10,12,16,26H,3-4,11,13-15H2/t16-/m1/s1.
What are the key properties of [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol has a molecular weight of 366.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 97453459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).