(4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone

C22H27NO — CID 122181606

IUPAC(4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-18-9-11-20(12-10-18)22(24)21-13-16-23(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3
InChIKeyOEEYDACTGCXLNJ-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.52
Rot. Bonds6

About (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone

(4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone (PubChem CID 122181606) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone
PubChem CID122181606
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-18-9-11-20(12-10-18)22(24)21-13-16-23(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3
InChIKeyOEEYDACTGCXLNJ-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone (CID 122181606) is (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
The InChIKey is OEEYDACTGCXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-18-9-11-20(12-10-18)22(24)21-13-16-23(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3.
What are the key properties of (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone?
(4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone has a molecular weight of 321.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 122181606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).