[3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol

C22H23FN2O — CID 56738275

IUPAC[3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H23FN2O/c23-19-8-3-1-7-18(19)14-22(16-26)12-5-13-25(15-22)21-11-10-17-6-2-4-9-20(17)24-21/h1-4,6-11,26H,5,12-16H2
InChIKeyYHUJQPTWPQFZPO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.20
Rot. Bonds4

About [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol

[3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol (PubChem CID 56738275) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
PubChem CID56738275
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H23FN2O/c23-19-8-3-1-7-18(19)14-22(16-26)12-5-13-25(15-22)21-11-10-17-6-2-4-9-20(17)24-21/h1-4,6-11,26H,5,12-16H2
InChIKeyYHUJQPTWPQFZPO-UHFFFAOYSA-N
XLogP4.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol (CID 56738275) is [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The InChIKey is YHUJQPTWPQFZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-19-8-3-1-7-18(19)14-22(16-26)12-5-13-25(15-22)21-11-10-17-6-2-4-9-20(17)24-21/h1-4,6-11,26H,5,12-16H2.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol has a molecular weight of 350.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 56738275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).