1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol

C28H32N2O3 — CID 46889811

IUPAC1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
InChIInChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
InChIKeyGYVPBQWEZRVOPO-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.02
Rot. Bonds8

About 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol

1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 46889811) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol
PubChem CID46889811
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
InChIInChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
InChIKeyGYVPBQWEZRVOPO-UHFFFAOYSA-N
XLogP5.02
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol (CID 46889811) is 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol is COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is GYVPBQWEZRVOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 444.58 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 46889811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).