(4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone

C17H25NO2 — CID 2232304

IUPAC(4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-4-13-20-16-7-5-15(6-8-16)17(19)18-11-9-14(2)10-12-18/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyRSYRJRNPXRNWEJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.74
Rot. Bonds5

About (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone

(4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 2232304) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID2232304
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-4-13-20-16-7-5-15(6-8-16)17(19)18-11-9-14(2)10-12-18/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyRSYRJRNPXRNWEJ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.74
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 (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone (CID 2232304) is (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone is CCCCOc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RSYRJRNPXRNWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-13-20-16-7-5-15(6-8-16)17(19)18-11-9-14(2)10-12-18/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
(4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2232304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).