4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol

C21H23N3O — CID 135964363

IUPAC4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol
SMILESCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(O)cc3)[nH]2)CC1
InChIInChI=1S/C21H23N3O/c1-24-12-8-16(9-13-24)20-14-19(15-6-10-22-11-7-15)21(23-20)17-2-4-18(25)5-3-17/h2-7,10-11,14,16,23,25H,8-9,12-13H2,1H3
InChIKeySUCMSYMAZXOVRG-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.26
Rot. Bonds3

About 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol

4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol (PubChem CID 135964363) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol
PubChem CID135964363
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol
SMILESCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(O)cc3)[nH]2)CC1
InChIInChI=1S/C21H23N3O/c1-24-12-8-16(9-13-24)20-14-19(15-6-10-22-11-7-15)21(23-20)17-2-4-18(25)5-3-17/h2-7,10-11,14,16,23,25H,8-9,12-13H2,1H3
InChIKeySUCMSYMAZXOVRG-UHFFFAOYSA-N
XLogP4.26
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol?
The IUPAC name of 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol (CID 135964363) is 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol.
What is the SMILES notation for 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol?
The canonical SMILES for 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol is CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(O)cc3)[nH]2)CC1.
What is the InChIKey of 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol?
The InChIKey is SUCMSYMAZXOVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-24-12-8-16(9-13-24)20-14-19(15-6-10-22-11-7-15)21(23-20)17-2-4-18(25)5-3-17/h2-7,10-11,14,16,23,25H,8-9,12-13H2,1H3.
What are the key properties of 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol?
4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol has a molecular weight of 333.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol is sourced from PubChem (CID 135964363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).