1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine

C21H25F2NO — CID 10831375

IUPAC1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCN(CCCOc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25F2NO/c22-19-4-2-17(3-5-19)16-18-10-13-24(14-11-18)12-1-15-25-21-8-6-20(23)7-9-21/h2-9,18H,1,10-16H2
InChIKeyYFBPOSTXEPVHBZ-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.69
Rot. Bonds7

About 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine

1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine (PubChem CID 10831375) has the molecular formula C21H25F2NO and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
PubChem CID10831375
Molecular FormulaC21H25F2NO
Molecular Weight345.43 g/mol
Exact Mass345.19
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCN(CCCOc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25F2NO/c22-19-4-2-17(3-5-19)16-18-10-13-24(14-11-18)12-1-15-25-21-8-6-20(23)7-9-21/h2-9,18H,1,10-16H2
InChIKeyYFBPOSTXEPVHBZ-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.69
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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Related Compounds

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
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]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
CID 10137339
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine (CID 10831375) is 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CC2CCN(CCCOc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is YFBPOSTXEPVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO/c22-19-4-2-17(3-5-19)16-18-10-13-24(14-11-18)12-1-15-25-21-8-6-20(23)7-9-21/h2-9,18H,1,10-16H2.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine?
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 345.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 10831375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).