2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine

C19H28N4O — CID 110234738

IUPAC2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
SMILESCC1CN(Cc2c(C3CCNCC3)[nH]c3ncccc23)CC(C)O1
InChIInChI=1S/C19H28N4O/c1-13-10-23(11-14(2)24-13)12-17-16-4-3-7-21-19(16)22-18(17)15-5-8-20-9-6-15/h3-4,7,13-15,20H,5-6,8-12H2,1-2H3,(H,21,22)
InChIKeyRKNINMNFKNFZLA-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.64
Rot. Bonds3

About 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine

2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine (PubChem CID 110234738) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
PubChem CID110234738
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
SMILESCC1CN(Cc2c(C3CCNCC3)[nH]c3ncccc23)CC(C)O1
InChIInChI=1S/C19H28N4O/c1-13-10-23(11-14(2)24-13)12-17-16-4-3-7-21-19(16)22-18(17)15-5-8-20-9-6-15/h3-4,7,13-15,20H,5-6,8-12H2,1-2H3,(H,21,22)
InChIKeyRKNINMNFKNFZLA-UHFFFAOYSA-N
XLogP2.64
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine (CID 110234738) is 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine is CC1CN(Cc2c(C3CCNCC3)[nH]c3ncccc23)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine?
The InChIKey is RKNINMNFKNFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-10-23(11-14(2)24-13)12-17-16-4-3-7-21-19(16)22-18(17)15-5-8-20-9-6-15/h3-4,7,13-15,20H,5-6,8-12H2,1-2H3,(H,21,22).
What are the key properties of 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine?
2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine has a molecular weight of 328.46 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine is sourced from PubChem (CID 110234738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).