1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine

C14H20F2N2O — CID 117429097

IUPAC1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
SMILESCOc1ccc(C(C)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C14H20F2N2O/c1-14(15,16)12-3-4-13(19-2)11(9-12)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyRFMICGHNJMOBHF-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.21
Rot. Bonds4

About 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine

1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine (PubChem CID 117429097) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
PubChem CID117429097
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
SMILESCOc1ccc(C(C)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C14H20F2N2O/c1-14(15,16)12-3-4-13(19-2)11(9-12)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyRFMICGHNJMOBHF-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
CID 115047761
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine
CID 117411192
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine?
The IUPAC name of 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine (CID 117429097) is 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine?
The canonical SMILES for 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine is COc1ccc(C(C)(F)F)cc1CN1CCNCC1.
What is the InChIKey of 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine?
The InChIKey is RFMICGHNJMOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-14(15,16)12-3-4-13(19-2)11(9-12)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine?
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine is sourced from PubChem (CID 117429097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).