1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine

C15H23FN2O — CID 67623117

IUPAC1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1CCCOc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-12-11-14(17)7-9-18(12)8-2-10-19-15-5-3-13(16)4-6-15/h3-6,12,14H,2,7-11,17H2,1H3
InChIKeySUIMWXUBWTZOCT-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds5

About 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine

1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine (PubChem CID 67623117) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
PubChem CID67623117
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1CCCOc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-12-11-14(17)7-9-18(12)8-2-10-19-15-5-3-13(16)4-6-15/h3-6,12,14H,2,7-11,17H2,1H3
InChIKeySUIMWXUBWTZOCT-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.41
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

(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine
CID 75509563
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
[1-[3-(4-fluorophenoxy)propyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
CID 12685674
1-[(2R)-2-[(2R)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346776
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 18918124
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine (CID 67623117) is 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine is CC1CC(N)CCN1CCCOc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine?
The InChIKey is SUIMWXUBWTZOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12-11-14(17)7-9-18(12)8-2-10-19-15-5-3-13(16)4-6-15/h3-6,12,14H,2,7-11,17H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine?
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 67623117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).