1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol

C19H21N3O — CID 170449570

IUPAC1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
SMILESCN1CCC(O)(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1
InChIInChI=1S/C19H21N3O/c1-22-12-8-19(23,9-13-22)15-4-2-14(3-5-15)16-6-10-20-18-17(16)7-11-21-18/h2-7,10-11,23H,8-9,12-13H2,1H3,(H,20,21)
InChIKeyWYVWWDOMLXDQPI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.14
Rot. Bonds2

About 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol

1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol (PubChem CID 170449570) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
PubChem CID170449570
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
SMILESCN1CCC(O)(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1
InChIInChI=1S/C19H21N3O/c1-22-12-8-19(23,9-13-22)15-4-2-14(3-5-15)16-6-10-20-18-17(16)7-11-21-18/h2-7,10-11,23H,8-9,12-13H2,1H3,(H,20,21)
InChIKeyWYVWWDOMLXDQPI-UHFFFAOYSA-N
XLogP3.14
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol (CID 170449570) is 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol is CN1CCC(O)(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
The InChIKey is WYVWWDOMLXDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-22-12-8-19(23,9-13-22)15-4-2-14(3-5-15)16-6-10-20-18-17(16)7-11-21-18/h2-7,10-11,23H,8-9,12-13H2,1H3,(H,20,21).
What are the key properties of 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol has a molecular weight of 307.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol is sourced from PubChem (CID 170449570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).