[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine

C15H23FN2O — CID 22390813

IUPAC[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O/c16-14-2-4-15(5-3-14)19-11-1-8-18-9-6-13(12-17)7-10-18/h2-5,13H,1,6-12,17H2
InChIKeyKZJUKKOTNXLGCR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.27
Rot. Bonds6

About [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine (PubChem CID 22390813) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
PubChem CID22390813
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O/c16-14-2-4-15(5-3-14)19-11-1-8-18-9-6-13(12-17)7-10-18/h2-5,13H,1,6-12,17H2
InChIKeyKZJUKKOTNXLGCR-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.27
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

1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine (CID 22390813) is [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine is NCC1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine?
The InChIKey is KZJUKKOTNXLGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-14-2-4-15(5-3-14)19-11-1-8-18-9-6-13(12-17)7-10-18/h2-5,13H,1,6-12,17H2.
What are the key properties of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine?
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine has a molecular weight of 266.36 g/mol, XLogP of 2.27, 6 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]piperidin-4-yl]methanamine is sourced from PubChem (CID 22390813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).