4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride

C24H26ClFN2O2 — CID 171700056

IUPAC4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCc2cccnc2)CC1
InChIInChI=1S/C24H25FN2O2.ClH/c25-22-9-7-21(8-10-22)24(28)11-14-27(15-12-24)17-20-5-1-2-6-23(20)29-18-19-4-3-13-26-16-19;/h1-10,13,16,28H,11-12,14-15,17-18H2;1H
InChIKeyUZYHPRRDSBEJTH-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.71
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride

4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride (PubChem CID 171700056) has the molecular formula C24H26ClFN2O2 and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
PubChem CID171700056
Molecular FormulaC24H26ClFN2O2
Molecular Weight428.94 g/mol
Exact Mass428.17
IUPAC Name4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCc2cccnc2)CC1
InChIInChI=1S/C24H25FN2O2.ClH/c25-22-9-7-21(8-10-22)24(28)11-14-27(15-12-24)17-20-5-1-2-6-23(20)29-18-19-4-3-13-26-16-19;/h1-10,13,16,28H,11-12,14-15,17-18H2;1H
InChIKeyUZYHPRRDSBEJTH-UHFFFAOYSA-N
XLogP4.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepane
CID 126803303
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 75439270
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
4-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909460
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 47631270
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967113
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 110935707

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride (CID 171700056) is 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride is Cl.OC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCc2cccnc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride?
The InChIKey is UZYHPRRDSBEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2.ClH/c25-22-9-7-21(8-10-22)24(28)11-14-27(15-12-24)17-20-5-1-2-6-23(20)29-18-19-4-3-13-26-16-19;/h1-10,13,16,28H,11-12,14-15,17-18H2;1H.
What are the key properties of 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride?
4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride has a molecular weight of 428.94 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 171700056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).