Mianserin Hydrochloride

C18H21ClN2 — CID 68551

IUPAC5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride
SMILESCN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl
InChIInChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
InChIKeyYNPFMWCWRVTGKJ-UHFFFAOYSA-N
MW300.80 g/mol
LogP—
Rot. Bonds

About Mianserin Hydrochloride

Mianserin Hydrochloride (PubChem CID 68551) has the molecular formula C18H21ClN2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride.

Molecular Properties

Compound NameMianserin Hydrochloride
PubChem CID68551
Molecular FormulaC18H21ClN2
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride
SMILESCN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl
InChIInChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
InChIKeyYNPFMWCWRVTGKJ-UHFFFAOYSA-N
XLogP—
TPSA6.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Mianserin Hydrochloride?
The IUPAC name of Mianserin Hydrochloride (CID 68551) is 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride.
What is the SMILES notation for Mianserin Hydrochloride?
The canonical SMILES for Mianserin Hydrochloride is CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl.
What is the InChIKey of Mianserin Hydrochloride?
The InChIKey is YNPFMWCWRVTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H.
What are the key properties of Mianserin Hydrochloride?
Mianserin Hydrochloride has a molecular weight of 300.80 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Mianserin Hydrochloride is sourced from PubChem (CID 68551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).