1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine

C14H20F2N2O — CID 117429093

IUPAC1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
SMILESCOc1c(CN2CCNCC2)cc(C)cc1C(F)F
InChIInChI=1S/C14H20F2N2O/c1-10-7-11(9-18-5-3-17-4-6-18)13(19-2)12(8-10)14(15)16/h7-8,14,17H,3-6,9H2,1-2H3
InChIKeyIEWCQRBPRIWCAW-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.35
Rot. Bonds4

About 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine

1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine (PubChem CID 117429093) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
PubChem CID117429093
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
SMILESCOc1c(CN2CCNCC2)cc(C)cc1C(F)F
InChIInChI=1S/C14H20F2N2O/c1-10-7-11(9-18-5-3-17-4-6-18)13(19-2)12(8-10)14(15)16/h7-8,14,17H,3-6,9H2,1-2H3
InChIKeyIEWCQRBPRIWCAW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
CID 117308984

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine?
The IUPAC name of 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine (CID 117429093) is 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine?
The canonical SMILES for 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine is COc1c(CN2CCNCC2)cc(C)cc1C(F)F.
What is the InChIKey of 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine?
The InChIKey is IEWCQRBPRIWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10-7-11(9-18-5-3-17-4-6-18)13(19-2)12(8-10)14(15)16/h7-8,14,17H,3-6,9H2,1-2H3.
What are the key properties of 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine?
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine is sourced from PubChem (CID 117429093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).