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

C48H56N4O — CID 70433243

IUPAC3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
SMILESOc1ccc2[nH]c3c(c2c1)CCCC3CN1CCCC(c2ccccc2)C1.c1ccc(C2CCCN(CC3CCc4[nH]c5ccccc5c4C3)C2)cc1
InChIInChI=1S/C24H28N2O.C24H28N2/c27-20-11-12-23-22(14-20)21-10-4-8-19(24(21)25-23)16-26-13-5-9-18(15-26)17-6-2-1-3-7-17;1-2-7-19(8-3-1)20-9-6-14-26(17-20)16-18-12-13-24-22(15-18)21-10-4-5-11-23(21)25-24/h1-3,6-7,11-12,14,18-19,25,27H,4-5,8-10,13,15-16H2;1-5,7-8,10-11,18,20,25H,6,9,12-17H2
InChIKeyZLMRZUZVEQNWKN-UHFFFAOYSA-N
MW705.00 g/mol
LogP10.33
Rot. Bonds6

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

3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol (PubChem CID 70433243) has the molecular formula C48H56N4O and a molecular weight of 705.00 g/mol. Its IUPAC name is 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol.

Molecular Properties

Compound Name3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
PubChem CID70433243
Molecular FormulaC48H56N4O
Molecular Weight705.00 g/mol
Exact Mass704.45
IUPAC Name3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
SMILESOc1ccc2[nH]c3c(c2c1)CCCC3CN1CCCC(c2ccccc2)C1.c1ccc(C2CCCN(CC3CCc4[nH]c5ccccc5c4C3)C2)cc1
InChIInChI=1S/C24H28N2O.C24H28N2/c27-20-11-12-23-22(14-20)21-10-4-8-19(24(21)25-23)16-26-13-5-9-18(15-26)17-6-2-1-3-7-17;1-2-7-19(8-3-1)20-9-6-14-26(17-20)16-18-12-13-24-22(15-18)21-10-4-5-11-23(21)25-24/h1-3,6-7,11-12,14,18-19,25,27H,4-5,8-10,13,15-16H2;1-5,7-8,10-11,18,20,25H,6,9,12-17H2
InChIKeyZLMRZUZVEQNWKN-UHFFFAOYSA-N
XLogP10.33
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.00
LogP ≤ 510.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 97445389
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pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
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6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride
CID 70432435
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
The IUPAC name of 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol (CID 70433243) is 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol.
What is the SMILES notation for 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
The canonical SMILES for 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol is Oc1ccc2[nH]c3c(c2c1)CCCC3CN1CCCC(c2ccccc2)C1.c1ccc(C2CCCN(CC3CCc4[nH]c5ccccc5c4C3)C2)cc1.
What is the InChIKey of 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
The InChIKey is ZLMRZUZVEQNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O.C24H28N2/c27-20-11-12-23-22(14-20)21-10-4-8-19(24(21)25-23)16-26-13-5-9-18(15-26)17-6-2-1-3-7-17;1-2-7-19(8-3-1)20-9-6-14-26(17-20)16-18-12-13-24-22(15-18)21-10-4-5-11-23(21)25-24/h1-3,6-7,11-12,14,18-19,25,27H,4-5,8-10,13,15-16H2;1-5,7-8,10-11,18,20,25H,6,9,12-17H2.
What are the key properties of 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol has a molecular weight of 705.00 g/mol, XLogP of 10.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;8-[(3-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol is sourced from PubChem (CID 70433243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).