1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol

C38H41N3O2 — CID 3041970

IUPAC1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(Cc2c(-c3ccccc3)c(CN3CCC(O)(c4ccccc4)CC3)n3ccccc23)CC1
InChIInChI=1S/C38H41N3O2/c42-37(31-14-6-2-7-15-31)19-24-39(25-20-37)28-33-34-18-10-11-23-41(34)35(36(33)30-12-4-1-5-13-30)29-40-26-21-38(43,22-27-40)32-16-8-3-9-17-32/h1-18,23,42-43H,19-22,24-29H2
InChIKeyBFXUXSQGSZBDKD-UHFFFAOYSA-N
MW571.77 g/mol
LogP6.57
Rot. Bonds7

About 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol

1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol (PubChem CID 3041970) has the molecular formula C38H41N3O2 and a molecular weight of 571.77 g/mol. Its IUPAC name is 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol
PubChem CID3041970
Molecular FormulaC38H41N3O2
Molecular Weight571.77 g/mol
Exact Mass571.32
IUPAC Name1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(Cc2c(-c3ccccc3)c(CN3CCC(O)(c4ccccc4)CC3)n3ccccc23)CC1
InChIInChI=1S/C38H41N3O2/c42-37(31-14-6-2-7-15-31)19-24-39(25-20-37)28-33-34-18-10-11-23-41(34)35(36(33)30-12-4-1-5-13-30)29-40-26-21-38(43,22-27-40)32-16-8-3-9-17-32/h1-18,23,42-43H,19-22,24-29H2
InChIKeyBFXUXSQGSZBDKD-UHFFFAOYSA-N
XLogP6.57
TPSA51.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.77
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol (CID 3041970) is 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(Cc2c(-c3ccccc3)c(CN3CCC(O)(c4ccccc4)CC3)n3ccccc23)CC1.
What is the InChIKey of 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol?
The InChIKey is BFXUXSQGSZBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3O2/c42-37(31-14-6-2-7-15-31)19-24-39(25-20-37)28-33-34-18-10-11-23-41(34)35(36(33)30-12-4-1-5-13-30)29-40-26-21-38(43,22-27-40)32-16-8-3-9-17-32/h1-18,23,42-43H,19-22,24-29H2.
What are the key properties of 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol?
1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol has a molecular weight of 571.77 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 3041970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).