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

C22H27N3O2 — CID 58086559

IUPAC2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1[nH]c2ncccc2c1-c1cccc(CO)c1
InChIInChI=1S/C22H27N3O2/c26-12-9-18-7-1-2-11-25(18)14-20-21(17-6-3-5-16(13-17)15-27)19-8-4-10-23-22(19)24-20/h3-6,8,10,13,18,26-27H,1-2,7,9,11-12,14-15H2,(H,23,24)
InChIKeyPZCQFSZNVZMSCB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.46
Rot. Bonds6

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

2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 58086559) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
PubChem CID58086559
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1[nH]c2ncccc2c1-c1cccc(CO)c1
InChIInChI=1S/C22H27N3O2/c26-12-9-18-7-1-2-11-25(18)14-20-21(17-6-3-5-16(13-17)15-27)19-8-4-10-23-22(19)24-20/h3-6,8,10,13,18,26-27H,1-2,7,9,11-12,14-15H2,(H,23,24)
InChIKeyPZCQFSZNVZMSCB-UHFFFAOYSA-N
XLogP3.46
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol (CID 58086559) is 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1[nH]c2ncccc2c1-c1cccc(CO)c1.
What is the InChIKey of 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is PZCQFSZNVZMSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-12-9-18-7-1-2-11-25(18)14-20-21(17-6-3-5-16(13-17)15-27)19-8-4-10-23-22(19)24-20/h3-6,8,10,13,18,26-27H,1-2,7,9,11-12,14-15H2,(H,23,24).
What are the key properties of 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 365.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 58086559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).