[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

C19H24FN3O — CID 162809588

IUPAC[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCc1ccc2c(n1)N(C)C(CO)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C19H24FN3O/c1-14-3-6-16-12-23(11-15-4-7-17(20)8-5-15)10-9-18(13-24)22(2)19(16)21-14/h3-8,18,24H,9-13H2,1-2H3
InChIKeyYWIYLEUMIZUTAH-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.73
Rot. Bonds3

About [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (PubChem CID 162809588) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
PubChem CID162809588
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCc1ccc2c(n1)N(C)C(CO)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C19H24FN3O/c1-14-3-6-16-12-23(11-15-4-7-17(20)8-5-15)10-9-18(13-24)22(2)19(16)21-14/h3-8,18,24H,9-13H2,1-2H3
InChIKeyYWIYLEUMIZUTAH-UHFFFAOYSA-N
XLogP2.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (CID 162809588) is [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is Cc1ccc2c(n1)N(C)C(CO)CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The InChIKey is YWIYLEUMIZUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14-3-6-16-12-23(11-15-4-7-17(20)8-5-15)10-9-18(13-24)22(2)19(16)21-14/h3-8,18,24H,9-13H2,1-2H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol has a molecular weight of 329.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 162809588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).