[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol

C21H22FN3O — CID 155235169

IUPAC[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
SMILESOCc1c(C2CCNCC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H22FN3O/c22-17-3-1-15(2-4-17)21-19(14-5-9-23-10-6-14)18(13-26)20(25-21)16-7-11-24-12-8-16/h1-6,9-10,16,24-26H,7-8,11-13H2
InChIKeyBBLKMFHXUKECNW-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.84
Rot. Bonds4

About [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol

[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol (PubChem CID 155235169) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
PubChem CID155235169
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
SMILESOCc1c(C2CCNCC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H22FN3O/c22-17-3-1-15(2-4-17)21-19(14-5-9-23-10-6-14)18(13-26)20(25-21)16-7-11-24-12-8-16/h1-6,9-10,16,24-26H,7-8,11-13H2
InChIKeyBBLKMFHXUKECNW-UHFFFAOYSA-N
XLogP3.84
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol (CID 155235169) is [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol is OCc1c(C2CCNCC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The InChIKey is BBLKMFHXUKECNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-17-3-1-15(2-4-17)21-19(14-5-9-23-10-6-14)18(13-26)20(25-21)16-7-11-24-12-8-16/h1-6,9-10,16,24-26H,7-8,11-13H2.
What are the key properties of [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol has a molecular weight of 351.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 155235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).