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

C17H28N4O — CID 162793100

IUPAC[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
SMILESCN1CCC(N2CCC(CO)N(C)c3cccnc3C2)CC1
InChIInChI=1S/C17H28N4O/c1-19-9-5-14(6-10-19)21-11-7-15(13-22)20(2)17-4-3-8-18-16(17)12-21/h3-4,8,14-15,22H,5-7,9-13H2,1-2H3
InChIKeyKMXBYQCKHKSUPE-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.18
Rot. Bonds2

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

[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol (PubChem CID 162793100) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
PubChem CID162793100
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
SMILESCN1CCC(N2CCC(CO)N(C)c3cccnc3C2)CC1
InChIInChI=1S/C17H28N4O/c1-19-9-5-14(6-10-19)21-11-7-15(13-22)20(2)17-4-3-8-18-16(17)12-21/h3-4,8,14-15,22H,5-7,9-13H2,1-2H3
InChIKeyKMXBYQCKHKSUPE-UHFFFAOYSA-N
XLogP1.18
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-5-(oxan-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162792765
4-[[(2S)-2-(hydroxymethyl)-1-methyl-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-5-yl]methyl]benzonitrile
CID 75529290
[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529233
(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
CID 162821718
[5-(cyclopropylmethyl)-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162804606
[(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
N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide
CID 163067858
[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529272
7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
CID 164880666
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanol
CID 79044202
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
CID 83835284

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol (CID 162793100) is [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol.
What is the SMILES notation for [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol is CN1CCC(N2CCC(CO)N(C)c3cccnc3C2)CC1.
What is the InChIKey of [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol?
The InChIKey is KMXBYQCKHKSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19-9-5-14(6-10-19)21-11-7-15(13-22)20(2)17-4-3-8-18-16(17)12-21/h3-4,8,14-15,22H,5-7,9-13H2,1-2H3.
What are the key properties of [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol?
[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol has a molecular weight of 304.44 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 162793100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).