[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

C14H23N3O — CID 75529233

IUPAC[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCC(C)N1CC[C@@H](CO)N(C)c2ncccc2C1
InChIInChI=1S/C14H23N3O/c1-11(2)17-8-6-13(10-18)16(3)14-12(9-17)5-4-7-15-14/h4-5,7,11,13,18H,6,8-10H2,1-3H3/t13-/m0/s1
InChIKeyKEZURXRXESIDMO-ZDUSSCGKSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds2

About [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (PubChem CID 75529233) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
PubChem CID75529233
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCC(C)N1CC[C@@H](CO)N(C)c2ncccc2C1
InChIInChI=1S/C14H23N3O/c1-11(2)17-8-6-13(10-18)16(3)14-12(9-17)5-4-7-15-14/h4-5,7,11,13,18H,6,8-10H2,1-3H3/t13-/m0/s1
InChIKeyKEZURXRXESIDMO-ZDUSSCGKSA-N
XLogP1.49
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-methyl-5-propan-2-yl-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

Related Compounds

[5-(cyclopropylmethyl)-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162804606
[1-methyl-5-(oxan-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162792765
[(2S)-5-[(2-chlorophenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529222
[(2S)-5-[(3-chlorophenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529223
[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 162793100
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
CID 162821718
[(2S)-1,9-dimethyl-5-(quinolin-3-ylmethyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 100654194
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (CID 75529233) is [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is CC(C)N1CC[C@@H](CO)N(C)c2ncccc2C1.
What is the InChIKey of [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The InChIKey is KEZURXRXESIDMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17-8-6-13(10-18)16(3)14-12(9-17)5-4-7-15-14/h4-5,7,11,13,18H,6,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 75529233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).