1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one

C23H29NO — CID 12741872

IUPAC1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
SMILESCCC(=O)C(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29NO/c1-2-22(25)23(20-11-7-4-8-12-20)21-14-17-24(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21,23H,2,13-18H2,1H3
InChIKeyDBXJKHMADORYQP-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.70
Rot. Bonds7

About 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one

1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one (PubChem CID 12741872) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one.

Molecular Properties

Compound Name1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
PubChem CID12741872
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
SMILESCCC(=O)C(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29NO/c1-2-22(25)23(20-11-7-4-8-12-20)21-14-17-24(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21,23H,2,13-18H2,1H3
InChIKeyDBXJKHMADORYQP-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The IUPAC name of 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one (CID 12741872) is 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one.
What is the SMILES notation for 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The canonical SMILES for 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one is CCC(=O)C(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The InChIKey is DBXJKHMADORYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-2-22(25)23(20-11-7-4-8-12-20)21-14-17-24(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21,23H,2,13-18H2,1H3.
What are the key properties of 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one has a molecular weight of 335.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one is sourced from PubChem (CID 12741872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).