1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine

C26H36FN3O — CID 131949920

IUPAC1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
SMILESCCN1CCN(CCOc2ccc(CN3CCCCC3c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C26H36FN3O/c1-2-28-15-17-29(18-16-28)19-20-31-25-12-6-22(7-13-25)21-30-14-4-3-5-26(30)23-8-10-24(27)11-9-23/h6-13,26H,2-5,14-21H2,1H3
InChIKeyWLRPMHCSIOFKIK-UHFFFAOYSA-N
MW425.59 g/mol
LogP4.57
Rot. Bonds8

About 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine

1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine (PubChem CID 131949920) has the molecular formula C26H36FN3O and a molecular weight of 425.59 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
PubChem CID131949920
Molecular FormulaC26H36FN3O
Molecular Weight425.59 g/mol
Exact Mass425.28
IUPAC Name1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
SMILESCCN1CCN(CCOc2ccc(CN3CCCCC3c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C26H36FN3O/c1-2-28-15-17-29(18-16-28)19-20-31-25-12-6-22(7-13-25)21-30-14-4-3-5-26(30)23-8-10-24(27)11-9-23/h6-13,26H,2-5,14-21H2,1H3
InChIKeyWLRPMHCSIOFKIK-UHFFFAOYSA-N
XLogP4.57
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 91793143
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 18621618
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 56890613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine (CID 131949920) is 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine is CCN1CCN(CCOc2ccc(CN3CCCCC3c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
The InChIKey is WLRPMHCSIOFKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O/c1-2-28-15-17-29(18-16-28)19-20-31-25-12-6-22(7-13-25)21-30-14-4-3-5-26(30)23-8-10-24(27)11-9-23/h6-13,26H,2-5,14-21H2,1H3.
What are the key properties of 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine has a molecular weight of 425.59 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 131949920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).