[1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol

C26H36N2O — CID 56675819

IUPAC[1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C26H36N2O/c29-21-23-8-7-15-28(19-23)18-22-13-16-27(17-14-22)20-26(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,22-23,26,29H,7-8,13-21H2
InChIKeyBCIFCEPRKOBVIM-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.23
Rot. Bonds7

About [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol

[1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 56675819) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID56675819
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name[1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C26H36N2O/c29-21-23-8-7-15-28(19-23)18-22-13-16-27(17-14-22)20-26(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,22-23,26,29H,7-8,13-21H2
InChIKeyBCIFCEPRKOBVIM-UHFFFAOYSA-N
XLogP4.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol (CID 56675819) is [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)C1.
What is the InChIKey of [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is BCIFCEPRKOBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c29-21-23-8-7-15-28(19-23)18-22-13-16-27(17-14-22)20-26(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,22-23,26,29H,7-8,13-21H2.
What are the key properties of [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol?
[1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 392.59 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56675819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).