[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol

C30H35NO2 — CID 139814217

IUPAC[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C30H35NO2/c32-30(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-17-20-31(21-18-28)19-8-22-33-29-16-15-24-9-7-10-25(24)23-29/h1-6,11-16,23,28,32H,7-10,17-22H2
InChIKeyFZYNOEINISLJSE-UHFFFAOYSA-N
MW441.62 g/mol
LogP5.59
Rot. Bonds8

About [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol

[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 139814217) has the molecular formula C30H35NO2 and a molecular weight of 441.62 g/mol. Its IUPAC name is [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol
PubChem CID139814217
Molecular FormulaC30H35NO2
Molecular Weight441.62 g/mol
Exact Mass441.27
IUPAC Name[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C30H35NO2/c32-30(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-17-20-31(21-18-28)19-8-22-33-29-16-15-24-9-7-10-25(24)23-29/h1-6,11-16,23,28,32H,7-10,17-22H2
InChIKeyFZYNOEINISLJSE-UHFFFAOYSA-N
XLogP5.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol (CID 139814217) is [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is FZYNOEINISLJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO2/c32-30(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-17-20-31(21-18-28)19-8-22-33-29-16-15-24-9-7-10-25(24)23-29/h1-6,11-16,23,28,32H,7-10,17-22H2.
What are the key properties of [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol?
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 441.62 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 139814217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).