cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C19H26FNO2 — CID 53037945

IUPACcyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO2/c20-18-6-4-16(5-7-18)14-23-13-10-15-8-11-21(12-9-15)19(22)17-2-1-3-17/h4-7,15,17H,1-3,8-14H2
InChIKeyVQVBXYXBPHZUAQ-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.77
Rot. Bonds6

About cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53037945) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53037945
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Namecyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO2/c20-18-6-4-16(5-7-18)14-23-13-10-15-8-11-21(12-9-15)19(22)17-2-1-3-17/h4-7,15,17H,1-3,8-14H2
InChIKeyVQVBXYXBPHZUAQ-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.77
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 cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53037945) is cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(CCOCc2ccc(F)cc2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is VQVBXYXBPHZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c20-18-6-4-16(5-7-18)14-23-13-10-15-8-11-21(12-9-15)19(22)17-2-1-3-17/h4-7,15,17H,1-3,8-14H2.
What are the key properties of cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 319.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53037945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).