1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine

C13H18F2N2O — CID 84805335

IUPAC1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
SMILESFC(F)COc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2O/c14-13(15)10-18-12-3-1-11(2-4-12)9-17-7-5-16-6-8-17/h1-4,13,16H,5-10H2
InChIKeyQSLHSWVERFBAIQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.74
Rot. Bonds5

About 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine

1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine (PubChem CID 84805335) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
PubChem CID84805335
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
SMILESFC(F)COc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2O/c14-13(15)10-18-12-3-1-11(2-4-12)9-17-7-5-16-6-8-17/h1-4,13,16H,5-10H2
InChIKeyQSLHSWVERFBAIQ-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
2-[4-(aminomethyl)phenyl]-3-[4-(piperazin-1-ylmethyl)phenoxy]propanal
CID 174666469
1-[(4-pent-4-ynoxyphenyl)methyl]piperazine
CID 175666917
(7S)-4-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-methyl-1,4-thiazepane 1,1-dioxide
CID 99835229
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 82264824
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-1,4-diazepane
CID 90744038

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine (CID 84805335) is 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine is FC(F)COc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine?
The InChIKey is QSLHSWVERFBAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)10-18-12-3-1-11(2-4-12)9-17-7-5-16-6-8-17/h1-4,13,16H,5-10H2.
What are the key properties of 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine?
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine has a molecular weight of 256.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 84805335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).