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

C48H56N4O — CID 70432303

IUPAC3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
SMILESOc1ccc2[nH]c3c(c2c1)CC(CN1CCC(c2ccccc2)CC1)CC3.c1ccc(C2CCN(CC3CCc4[nH]c5ccccc5c4C3)CC2)cc1
InChIInChI=1S/C24H28N2O.C24H28N2/c27-20-7-9-24-22(15-20)21-14-17(6-8-23(21)25-24)16-26-12-10-19(11-13-26)18-4-2-1-3-5-18;1-2-6-19(7-3-1)20-12-14-26(15-13-20)17-18-10-11-24-22(16-18)21-8-4-5-9-23(21)25-24/h1-5,7,9,15,17,19,25,27H,6,8,10-14,16H2;1-9,18,20,25H,10-17H2
InChIKeyYGGVUFPAZVZNKO-UHFFFAOYSA-N
MW705.00 g/mol
LogP10.01
Rot. Bonds6

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

3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol (PubChem CID 70432303) has the molecular formula C48H56N4O and a molecular weight of 705.00 g/mol. Its IUPAC name is 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol.

Molecular Properties

Compound Name3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
PubChem CID70432303
Molecular FormulaC48H56N4O
Molecular Weight705.00 g/mol
Exact Mass704.45
IUPAC Name3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol
SMILESOc1ccc2[nH]c3c(c2c1)CC(CN1CCC(c2ccccc2)CC1)CC3.c1ccc(C2CCN(CC3CCc4[nH]c5ccccc5c4C3)CC2)cc1
InChIInChI=1S/C24H28N2O.C24H28N2/c27-20-7-9-24-22(15-20)21-14-17(6-8-23(21)25-24)16-26-12-10-19(11-13-26)18-4-2-1-3-5-18;1-2-6-19(7-3-1)20-12-14-26(15-13-20)17-18-10-11-24-22(16-18)21-8-4-5-9-23(21)25-24/h1-5,7,9,15,17,19,25,27H,6,8,10-14,16H2;1-9,18,20,25H,10-17H2
InChIKeyYGGVUFPAZVZNKO-UHFFFAOYSA-N
XLogP10.01
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 ≤ 510.01
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
The IUPAC name of 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol (CID 70432303) is 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol.
What is the SMILES notation for 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
The canonical SMILES for 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol is Oc1ccc2[nH]c3c(c2c1)CC(CN1CCC(c2ccccc2)CC1)CC3.c1ccc(C2CCN(CC3CCc4[nH]c5ccccc5c4C3)CC2)cc1.
What is the InChIKey of 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
The InChIKey is YGGVUFPAZVZNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O.C24H28N2/c27-20-7-9-24-22(15-20)21-14-17(6-8-23(21)25-24)16-26-12-10-19(11-13-26)18-4-2-1-3-5-18;1-2-6-19(7-3-1)20-12-14-26(15-13-20)17-18-10-11-24-22(16-18)21-8-4-5-9-23(21)25-24/h1-5,7,9,15,17,19,25,27H,6,8,10-14,16H2;1-9,18,20,25H,10-17H2.
What are the key properties of 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol?
3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol has a molecular weight of 705.00 g/mol, XLogP of 10.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperidin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole;6-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-ol is sourced from PubChem (CID 70432303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).