4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one

C17H25NO — CID 116561839

IUPAC4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
SMILESCC(C)CCC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H25NO/c1-14(2)8-9-16(19)17(10-12-18-13-11-17)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyGVJYMENTSKEXQM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.31
Rot. Bonds5

About 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one

4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one (PubChem CID 116561839) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
PubChem CID116561839
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
SMILESCC(C)CCC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H25NO/c1-14(2)8-9-16(19)17(10-12-18-13-11-17)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyGVJYMENTSKEXQM-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one (CID 116561839) is 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one is CC(C)CCC(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one?
The InChIKey is GVJYMENTSKEXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)8-9-16(19)17(10-12-18-13-11-17)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3.
What are the key properties of 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one?
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 116561839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).