1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one

C17H25NO — CID 101453044

IUPAC1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(C2CCN(C)CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-4-5-17(19)16-8-6-14(7-9-16)15-10-12-18(2)13-11-15/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyXTXDYZWPMUXVOW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one

1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one (PubChem CID 101453044) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
PubChem CID101453044
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(C2CCN(C)CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-4-5-17(19)16-8-6-14(7-9-16)15-10-12-18(2)13-11-15/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyXTXDYZWPMUXVOW-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one (CID 101453044) is 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(C2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one?
The InChIKey is XTXDYZWPMUXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-4-5-17(19)16-8-6-14(7-9-16)15-10-12-18(2)13-11-15/h6-9,15H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one?
1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one is sourced from PubChem (CID 101453044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).