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

C22H28N3OP — CID 143384652

IUPAC2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1[nH]c2ncccc2c1-c1cccc(CP)c1
InChIInChI=1S/C22H28N3OP/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/h3-6,8,10,13,18,26H,1-2,7,9,11-12,14-15,27H2,(H,23,24)
InChIKeyCQJTZWZPRNSKID-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.34
Rot. Bonds6

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

2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 143384652) has the molecular formula C22H28N3OP and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
PubChem CID143384652
Molecular FormulaC22H28N3OP
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1[nH]c2ncccc2c1-c1cccc(CP)c1
InChIInChI=1S/C22H28N3OP/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/h3-6,8,10,13,18,26H,1-2,7,9,11-12,14-15,27H2,(H,23,24)
InChIKeyCQJTZWZPRNSKID-UHFFFAOYSA-N
XLogP4.34
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol (CID 143384652) is 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1[nH]c2ncccc2c1-c1cccc(CP)c1.
What is the InChIKey of 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is CQJTZWZPRNSKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N3OP/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/h3-6,8,10,13,18,26H,1-2,7,9,11-12,14-15,27H2,(H,23,24).
What are the key properties of 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 381.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[3-(phosphanylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 143384652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).