1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine

C21H25F3N2O2 — CID 141351579

IUPAC1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(CCCOc2ccc(CN3CCNCC3)cc2)cc1
InChIInChI=1S/C21H25F3N2O2/c22-21(23,24)28-20-9-3-17(4-10-20)2-1-15-27-19-7-5-18(6-8-19)16-26-13-11-25-12-14-26/h3-10,25H,1-2,11-16H2
InChIKeyPSINDQSKRUTQBN-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.00
Rot. Bonds8

About 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine

1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine (PubChem CID 141351579) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
PubChem CID141351579
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(CCCOc2ccc(CN3CCNCC3)cc2)cc1
InChIInChI=1S/C21H25F3N2O2/c22-21(23,24)28-20-9-3-17(4-10-20)2-1-15-27-19-7-5-18(6-8-19)16-26-13-11-25-12-14-26/h3-10,25H,1-2,11-16H2
InChIKeyPSINDQSKRUTQBN-UHFFFAOYSA-N
XLogP4.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
1-[(4-pent-4-ynoxyphenyl)methyl]piperazine
CID 175666917
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-1,4-diazepane
CID 90744038
1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 67298811
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 90732660
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
CID 51078356
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine (CID 141351579) is 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine is FC(F)(F)Oc1ccc(CCCOc2ccc(CN3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine?
The InChIKey is PSINDQSKRUTQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c22-21(23,24)28-20-9-3-17(4-10-20)2-1-15-27-19-7-5-18(6-8-19)16-26-13-11-25-12-14-26/h3-10,25H,1-2,11-16H2.
What are the key properties of 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine?
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine has a molecular weight of 394.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine is sourced from PubChem (CID 141351579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).