[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol

C29H32N2O — CID 58088658

IUPAC[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(CCC(c2ccccc2)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C29H32N2O/c32-29(23-11-5-2-6-12-23)24-15-18-31(19-16-24)20-17-25(22-9-3-1-4-10-22)27-21-30-28-14-8-7-13-26(27)28/h1-14,21,24-25,29-30,32H,15-20H2
InChIKeyVUZJBPJVPKZADH-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.14
Rot. Bonds7

About [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol

[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol (PubChem CID 58088658) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol
PubChem CID58088658
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(CCC(c2ccccc2)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C29H32N2O/c32-29(23-11-5-2-6-12-23)24-15-18-31(19-16-24)20-17-25(22-9-3-1-4-10-22)27-21-30-28-14-8-7-13-26(27)28/h1-14,21,24-25,29-30,32H,15-20H2
InChIKeyVUZJBPJVPKZADH-UHFFFAOYSA-N
XLogP6.14
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134023907
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 154834077
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol (CID 58088658) is [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol is OC(c1ccccc1)C1CCN(CCC(c2ccccc2)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is VUZJBPJVPKZADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c32-29(23-11-5-2-6-12-23)24-15-18-31(19-16-24)20-17-25(22-9-3-1-4-10-22)27-21-30-28-14-8-7-13-26(27)28/h1-14,21,24-25,29-30,32H,15-20H2.
What are the key properties of [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol?
[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 424.59 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 58088658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).