2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride

C11H18Cl2N2O — CID 22238015

IUPAC2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCNCc2ccccc21
InChIInChI=1S/C11H16N2O.2ClH/c14-8-7-13-6-5-12-9-10-3-1-2-4-11(10)13;;/h1-4,12,14H,5-9H2;2*1H
InChIKeyOKIFQEFRRJVLGZ-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.43
Rot. Bonds2

About 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride

2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride (PubChem CID 22238015) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride
PubChem CID22238015
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCNCc2ccccc21
InChIInChI=1S/C11H16N2O.2ClH/c14-8-7-13-6-5-12-9-10-3-1-2-4-11(10)13;;/h1-4,12,14H,5-9H2;2*1H
InChIKeyOKIFQEFRRJVLGZ-UHFFFAOYSA-N
XLogP1.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoropropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 81114013
1-(2-phenylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101061
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
N-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]acetamide
CID 63101501
N,N-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101352
1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101229
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)butan-2-ol
CID 63100698
1-(2-propylsulfonylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815443
5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119921165
2,2-dimethyl-5-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)pentanenitrile
CID 65255369
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815442
1-(azetidin-1-yl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 63101653

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride?
The IUPAC name of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride (CID 22238015) is 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride.
What is the SMILES notation for 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride?
The canonical SMILES for 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride is Cl.Cl.OCCN1CCNCc2ccccc21.
What is the InChIKey of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride?
The InChIKey is OKIFQEFRRJVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.2ClH/c14-8-7-13-6-5-12-9-10-3-1-2-4-11(10)13;;/h1-4,12,14H,5-9H2;2*1H.
What are the key properties of 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride?
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride has a molecular weight of 265.18 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride is sourced from PubChem (CID 22238015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).