4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one

C29H33NO2 — CID 15230929

IUPAC4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27,32H,8,13,18-22H2,1H3
InChIKeyASQUTXZYOFTTDB-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.61
Rot. Bonds8

About 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one

4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one (PubChem CID 15230929) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one
PubChem CID15230929
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27,32H,8,13,18-22H2,1H3
InChIKeyASQUTXZYOFTTDB-UHFFFAOYSA-N
XLogP5.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one (CID 15230929) is 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one is Cc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one?
The InChIKey is ASQUTXZYOFTTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27,32H,8,13,18-22H2,1H3.
What are the key properties of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one?
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one has a molecular weight of 427.59 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 15230929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).