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

C29H33NO2 — CID 45485493

IUPAC1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
SMILESCc1ccc(CCCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO2/c1-23-15-17-24(18-16-23)9-8-14-28(31)30-21-19-27(20-22-30)29(32,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,15-18,27,32H,8-9,14,19-22H2,1H3
InChIKeyARFONFXLNJVMPP-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.49
Rot. Bonds7

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

1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one (PubChem CID 45485493) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
PubChem CID45485493
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
SMILESCc1ccc(CCCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO2/c1-23-15-17-24(18-16-23)9-8-14-28(31)30-21-19-27(20-22-30)29(32,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,15-18,27,32H,8-9,14,19-22H2,1H3
InChIKeyARFONFXLNJVMPP-UHFFFAOYSA-N
XLogP5.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one?
The IUPAC name of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one (CID 45485493) is 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one?
The canonical SMILES for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one is Cc1ccc(CCCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one?
The InChIKey is ARFONFXLNJVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c1-23-15-17-24(18-16-23)9-8-14-28(31)30-21-19-27(20-22-30)29(32,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,15-18,27,32H,8-9,14,19-22H2,1H3.
What are the key properties of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one?
1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one has a molecular weight of 427.59 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 45485493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).