3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol

C17H23FN2O — CID 70766803

IUPAC3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol
SMILESOC1(CN2CC=C(c3ccc(F)cc3)CC2)CCCNC1
InChIInChI=1S/C17H23FN2O/c18-16-4-2-14(3-5-16)15-6-10-20(11-7-15)13-17(21)8-1-9-19-12-17/h2-6,19,21H,1,7-13H2
InChIKeyCOCIFGUQEFGVGK-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.03
Rot. Bonds3

About 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol

3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol (PubChem CID 70766803) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol
PubChem CID70766803
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol
SMILESOC1(CN2CC=C(c3ccc(F)cc3)CC2)CCCNC1
InChIInChI=1S/C17H23FN2O/c18-16-4-2-14(3-5-16)15-6-10-20(11-7-15)13-17(21)8-1-9-19-12-17/h2-6,19,21H,1,7-13H2
InChIKeyCOCIFGUQEFGVGK-UHFFFAOYSA-N
XLogP2.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 71521280
4-(Aminomethyl)-1-phenethylpiperidin-4-ol
CID 90271
1-Ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol
CID 56730047
1-Ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol
CID 71683459
4-(2-Fluorobenzyl)tetrahydroisoquinolin-4-ol
CID 129782102
1-[4-(2-Aminoethyl)benzyl]-3-[(dimethylamino)methyl]-3-piperidinol
CID 70785957
(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]piperidin-3-ol
CID 16676732
(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(4-fluorophenyl)methyl]piperidin-3-ol
CID 16676974
(3R,4R)-4-[3-(dimethylamino)propylamino]-1-[(4-fluorophenyl)methyl]piperidin-3-ol
CID 16676975
(3R,4R)-4-[2-(dimethylamino)ethylamino]-1-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 16677336
(3R,4R)-4-[3-(dimethylamino)propylamino]-1-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 16677337
(2S)-3-[4-(benzylamino)piperidin-1-yl]-1,1,1-trifluoro-2-methylpropan-2-ol
CID 125535627

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol (CID 70766803) is 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol is OC1(CN2CC=C(c3ccc(F)cc3)CC2)CCCNC1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol?
The InChIKey is COCIFGUQEFGVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-4-2-14(3-5-16)15-6-10-20(11-7-15)13-17(21)8-1-9-19-12-17/h2-6,19,21H,1,7-13H2.
What are the key properties of 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol?
3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol has a molecular weight of 290.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70766803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).