4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol

C22H27FN2O — CID 16674078

IUPAC4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C22H27FN2O/c23-20-9-7-19(8-10-20)22(26)11-15-24(16-12-22)17-18-5-1-2-6-21(18)25-13-3-4-14-25/h1-2,5-10,26H,3-4,11-17H2
InChIKeyGHOWVOBSRJPZHY-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.91
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol

4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol (PubChem CID 16674078) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
PubChem CID16674078
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C22H27FN2O/c23-20-9-7-19(8-10-20)22(26)11-15-24(16-12-22)17-18-5-1-2-6-21(18)25-13-3-4-14-25/h1-2,5-10,26H,3-4,11-17H2
InChIKeyGHOWVOBSRJPZHY-UHFFFAOYSA-N
XLogP3.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol (CID 16674078) is 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The InChIKey is GHOWVOBSRJPZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-20-9-7-19(8-10-20)22(26)11-15-24(16-12-22)17-18-5-1-2-6-21(18)25-13-3-4-14-25/h1-2,5-10,26H,3-4,11-17H2.
What are the key properties of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol has a molecular weight of 354.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 16674078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).