4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride

C15H24ClFN2O — CID 67876784

IUPAC4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride
SMILESCl.NC(CCCOc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C15H23FN2O.ClH/c16-13-6-8-14(9-7-13)19-12-4-5-15(17)18-10-2-1-3-11-18;/h6-9,15H,1-5,10-12,17H2;1H
InChIKeyNUZWJDFPRRILSJ-UHFFFAOYSA-N
MW302.82 g/mol
LogP3.18
Rot. Bonds6

About 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride

4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride (PubChem CID 67876784) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride
PubChem CID67876784
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC Name4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride
SMILESCl.NC(CCCOc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C15H23FN2O.ClH/c16-13-6-8-14(9-7-13)19-12-4-5-15(17)18-10-2-1-3-11-18;/h6-9,15H,1-5,10-12,17H2;1H
InChIKeyNUZWJDFPRRILSJ-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 53.18
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

4-(4-fluorophenoxy)-3-pyrrolidin-1-ylbutan-1-amine
CID 112501022
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
5,5-diphenyl-1-piperidin-1-ylpentan-1-amine
CID 56991990
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119435438
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554
5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
CID 67872431
1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
CID 2248273
1-[3-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119593930
3-(4-fluorophenoxy)propylazanium
CID 42036216
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride?
The IUPAC name of 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride (CID 67876784) is 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride is Cl.NC(CCCOc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride?
The InChIKey is NUZWJDFPRRILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c16-13-6-8-14(9-7-13)19-12-4-5-15(17)18-10-2-1-3-11-18;/h6-9,15H,1-5,10-12,17H2;1H.
What are the key properties of 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride?
4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-piperidin-1-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 67876784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).