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

C19H25N3O2 — CID 75529227

IUPAC[(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCOc1ccccc1CN1CC[C@@H](CO)N(C)c2ncccc2C1
InChIInChI=1S/C19H25N3O2/c1-21-17(14-23)9-11-22(13-16-7-5-10-20-19(16)21)12-15-6-3-4-8-18(15)24-2/h3-8,10,17,23H,9,11-14H2,1-2H3/t17-/m0/s1
InChIKeyRVPLUQNAMAHZKD-KRWDZBQOSA-N
MW327.43 g/mol
LogP2.29
Rot. Bonds4

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

[(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (PubChem CID 75529227) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
PubChem CID75529227
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCOc1ccccc1CN1CC[C@@H](CO)N(C)c2ncccc2C1
InChIInChI=1S/C19H25N3O2/c1-21-17(14-23)9-11-22(13-16-7-5-10-20-19(16)21)12-15-6-3-4-8-18(15)24-2/h3-8,10,17,23H,9,11-14H2,1-2H3/t17-/m0/s1
InChIKeyRVPLUQNAMAHZKD-KRWDZBQOSA-N
XLogP2.29
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (CID 75529227) is [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.
What is the SMILES notation for [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is COc1ccccc1CN1CC[C@@H](CO)N(C)c2ncccc2C1.
What is the InChIKey of [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The InChIKey is RVPLUQNAMAHZKD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-17(14-23)9-11-22(13-16-7-5-10-20-19(16)21)12-15-6-3-4-8-18(15)24-2/h3-8,10,17,23H,9,11-14H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
[(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol has a molecular weight of 327.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 75529227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).