6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride

C24H27ClN2O — CID 70432435

IUPAC6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride
SMILESCl.Oc1ccc2c3c([nH]c2c1)CCC(CC1CC(c2ccccc2)=CCN1)C3
InChIInChI=1S/C24H26N2O.ClH/c27-20-7-8-21-22-13-16(6-9-23(22)26-24(21)15-20)12-19-14-18(10-11-25-19)17-4-2-1-3-5-17;/h1-5,7-8,10,15-16,19,25-27H,6,9,11-14H2;1H
InChIKeyLONZZPMXCHELNN-UHFFFAOYSA-N
MW394.95 g/mol
LogP5.24
Rot. Bonds3

About 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride

6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride (PubChem CID 70432435) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride
PubChem CID70432435
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride
SMILESCl.Oc1ccc2c3c([nH]c2c1)CCC(CC1CC(c2ccccc2)=CCN1)C3
InChIInChI=1S/C24H26N2O.ClH/c27-20-7-8-21-22-13-16(6-9-23(22)26-24(21)15-20)12-19-14-18(10-11-25-19)17-4-2-1-3-5-17;/h1-5,7-8,10,15-16,19,25-27H,6,9,11-14H2;1H
InChIKeyLONZZPMXCHELNN-UHFFFAOYSA-N
XLogP5.24
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride?
The IUPAC name of 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride (CID 70432435) is 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride.
What is the SMILES notation for 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride?
The canonical SMILES for 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride is Cl.Oc1ccc2c3c([nH]c2c1)CCC(CC1CC(c2ccccc2)=CCN1)C3.
What is the InChIKey of 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride?
The InChIKey is LONZZPMXCHELNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O.ClH/c27-20-7-8-21-22-13-16(6-9-23(22)26-24(21)15-20)12-19-14-18(10-11-25-19)17-4-2-1-3-5-17;/h1-5,7-8,10,15-16,19,25-27H,6,9,11-14H2;1H.
What are the key properties of 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride?
6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 5.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride is sourced from PubChem (CID 70432435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).