[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol

C16H24N2O — CID 103983164

IUPAC[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(C2CCNCc3ccccc32)CC1
InChIInChI=1S/C16H24N2O/c19-12-13-6-9-18(10-7-13)16-5-8-17-11-14-3-1-2-4-15(14)16/h1-4,13,16-17,19H,5-12H2
InChIKeyPQJAKQUPANMGBH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.93
Rot. Bonds2

About [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol

[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol (PubChem CID 103983164) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
PubChem CID103983164
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(C2CCNCc3ccccc32)CC1
InChIInChI=1S/C16H24N2O/c19-12-13-6-9-18(10-7-13)16-5-8-17-11-14-3-1-2-4-15(14)16/h1-4,13,16-17,19H,5-12H2
InChIKeyPQJAKQUPANMGBH-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol (CID 103983164) is [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol is OCC1CCN(C2CCNCc3ccccc32)CC1.
What is the InChIKey of [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol?
The InChIKey is PQJAKQUPANMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-12-13-6-9-18(10-7-13)16-5-8-17-11-14-3-1-2-4-15(14)16/h1-4,13,16-17,19H,5-12H2.
What are the key properties of [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol?
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol has a molecular weight of 260.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 103983164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).