N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine

C16H25FN2O — CID 67622919

IUPACN-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-19-11-8-15(9-12-19)18-10-2-3-13-20-16-6-4-14(17)5-7-16/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyIGWTXNYSTHWELN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine

N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine (PubChem CID 67622919) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
PubChem CID67622919
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-19-11-8-15(9-12-19)18-10-2-3-13-20-16-6-4-14(17)5-7-16/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyIGWTXNYSTHWELN-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine (CID 67622919) is N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine is CN1CCC(NCCCCOc2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine?
The InChIKey is IGWTXNYSTHWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-19-11-8-15(9-12-19)18-10-2-3-13-20-16-6-4-14(17)5-7-16/h4-7,15,18H,2-3,8-13H2,1H3.
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine?
N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 67622919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).