(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol

C18H22N2O — CID 103938818

IUPAC(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N2CCc3ccccc3CC2)cn1
InChIInChI=1S/C18H22N2O/c1-2-18(21)17-8-7-16(13-19-17)20-11-9-14-5-3-4-6-15(14)10-12-20/h3-8,13,18,21H,2,9-12H2,1H3/t18-/m1/s1
InChIKeyFQQYGMLJYPQYFP-GOSISDBHSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds3

About (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol

(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol (PubChem CID 103938818) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
PubChem CID103938818
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N2CCc3ccccc3CC2)cn1
InChIInChI=1S/C18H22N2O/c1-2-18(21)17-8-7-16(13-19-17)20-11-9-14-5-3-4-6-15(14)10-12-20/h3-8,13,18,21H,2,9-12H2,1H3/t18-/m1/s1
InChIKeyFQQYGMLJYPQYFP-GOSISDBHSA-N
XLogP3.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
CID 83132282
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
CID 112585414
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol (CID 103938818) is (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N2CCc3ccccc3CC2)cn1.
What is the InChIKey of (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is FQQYGMLJYPQYFP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-18(21)17-8-7-16(13-19-17)20-11-9-14-5-3-4-6-15(14)10-12-20/h3-8,13,18,21H,2,9-12H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol?
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).