phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone

C22H27NO — CID 10018996

IUPACphenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H27NO/c24-22(20-12-5-2-6-13-20)21-14-17-23(18-15-21)16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21H,7-8,11,14-18H2
InChIKeyRJGRIQHRWRGLJB-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.60
Rot. Bonds7

About phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone

phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone (PubChem CID 10018996) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone
PubChem CID10018996
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Namephenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H27NO/c24-22(20-12-5-2-6-13-20)21-14-17-23(18-15-21)16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21H,7-8,11,14-18H2
InChIKeyRJGRIQHRWRGLJB-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone (CID 10018996) is phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
The InChIKey is RJGRIQHRWRGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-22(20-12-5-2-6-13-20)21-14-17-23(18-15-21)16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21H,7-8,11,14-18H2.
What are the key properties of phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone has a molecular weight of 321.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(4-phenylbutyl)piperidin-4-yl]methanone is sourced from PubChem (CID 10018996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).