[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol

C21H22FN3O — CID 133411847

IUPAC[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C21H22FN3O/c22-18-8-2-4-10-20(18)25-11-5-7-17(13-25)23-21-16(14-26)12-15-6-1-3-9-19(15)24-21/h1-4,6,8-10,12,17,26H,5,7,11,13-14H2,(H,23,24)
InChIKeyBMIZNBILZGETDW-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.95
Rot. Bonds4

About [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol

[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol (PubChem CID 133411847) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
PubChem CID133411847
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C21H22FN3O/c22-18-8-2-4-10-20(18)25-11-5-7-17(13-25)23-21-16(14-26)12-15-6-1-3-9-19(15)24-21/h1-4,6,8-10,12,17,26H,5,7,11,13-14H2,(H,23,24)
InChIKeyBMIZNBILZGETDW-UHFFFAOYSA-N
XLogP3.95
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol?
The IUPAC name of [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol (CID 133411847) is [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol is OCc1cc2ccccc2nc1NC1CCCN(c2ccccc2F)C1.
What is the InChIKey of [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol?
The InChIKey is BMIZNBILZGETDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-18-8-2-4-10-20(18)25-11-5-7-17(13-25)23-21-16(14-26)12-15-6-1-3-9-19(15)24-21/h1-4,6,8-10,12,17,26H,5,7,11,13-14H2,(H,23,24).
What are the key properties of [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol?
[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol has a molecular weight of 351.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol is sourced from PubChem (CID 133411847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).