(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone

C17H24N2O2 — CID 114337478

IUPAC(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCCC(O)c3ccccc32)C1
InChIInChI=1S/C17H24N2O2/c1-13-6-4-10-18(12-13)17(21)19-11-5-9-16(20)14-7-2-3-8-15(14)19/h2-3,7-8,13,16,20H,4-6,9-12H2,1H3
InChIKeyKTGCFUXZCWFPHE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.17
Rot. Bonds

About (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone

(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 114337478) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID114337478
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCCC(O)c3ccccc32)C1
InChIInChI=1S/C17H24N2O2/c1-13-6-4-10-18(12-13)17(21)19-11-5-9-16(20)14-7-2-3-8-15(14)19/h2-3,7-8,13,16,20H,4-6,9-12H2,1H3
InChIKeyKTGCFUXZCWFPHE-UHFFFAOYSA-N
XLogP3.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-morpholin-4-ylmethanone
CID 114337465
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159594
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656081
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-propylpentan-1-one
CID 114337429
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methoxyethanone
CID 104537325
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114337455
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-1-one
CID 104537335
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-methoxypropan-1-one
CID 104537376
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826290

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone (CID 114337478) is (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCCC(O)c3ccccc32)C1.
What is the InChIKey of (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is KTGCFUXZCWFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-6-4-10-18(12-13)17(21)19-11-5-9-16(20)14-7-2-3-8-15(14)19/h2-3,7-8,13,16,20H,4-6,9-12H2,1H3.
What are the key properties of (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone?
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114337478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).