(1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol

C19H23FN2O — CID 97446201

IUPAC(1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(N2CCC(Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN2O/c1-14(23)18-7-4-8-19(21-18)22-11-9-15(10-12-22)13-16-5-2-3-6-17(16)20/h2-8,14-15,23H,9-13H2,1H3/t14-/m0/s1
InChIKeyYVNALDJQTIHCEP-AWEZNQCLSA-N
MW314.40 g/mol
LogP3.73
Rot. Bonds4

About (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol

(1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol (PubChem CID 97446201) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol
PubChem CID97446201
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(N2CCC(Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN2O/c1-14(23)18-7-4-8-19(21-18)22-11-9-15(10-12-22)13-16-5-2-3-6-17(16)20/h2-8,14-15,23H,9-13H2,1H3/t14-/m0/s1
InChIKeyYVNALDJQTIHCEP-AWEZNQCLSA-N
XLogP3.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol (CID 97446201) is (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol is C[C@H](O)c1cccc(N2CCC(Cc3ccccc3F)CC2)n1.
What is the InChIKey of (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol?
The InChIKey is YVNALDJQTIHCEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(23)18-7-4-8-19(21-18)22-11-9-15(10-12-22)13-16-5-2-3-6-17(16)20/h2-8,14-15,23H,9-13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol?
(1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol has a molecular weight of 314.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 97446201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).