10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride

C20H22ClNO — CID 138399043

IUPAC10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride
SMILESCN1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19;/h2-9,20,22H,10-13H2,1H3;1H
InChIKeyDRPZGORKJKWCGW-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.03
Rot. Bonds

About 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride

10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride (PubChem CID 138399043) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride.

Molecular Properties

Compound Name10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride
PubChem CID138399043
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride
SMILESCN1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19;/h2-9,20,22H,10-13H2,1H3;1H
InChIKeyDRPZGORKJKWCGW-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride?
The IUPAC name of 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride (CID 138399043) is 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride.
What is the SMILES notation for 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride?
The canonical SMILES for 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride is CN1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1.Cl.
What is the InChIKey of 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride?
The InChIKey is DRPZGORKJKWCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19;/h2-9,20,22H,10-13H2,1H3;1H.
What are the key properties of 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride?
10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride is sourced from PubChem (CID 138399043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).