N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

C14H21F2N3 — CID 63897583

IUPACN-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2c(F)cccc2F)C1
InChIInChI=1S/C14H21F2N3/c1-18-6-7-19(2)11(10-18)8-17-9-12-13(15)4-3-5-14(12)16/h3-5,11,17H,6-10H2,1-2H3
InChIKeyVOERFEYSSQPSLB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.30
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 63897583) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID63897583
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2c(F)cccc2F)C1
InChIInChI=1S/C14H21F2N3/c1-18-6-7-19(2)11(10-18)8-17-9-12-13(15)4-3-5-14(12)16/h3-5,11,17H,6-10H2,1-2H3
InChIKeyVOERFEYSSQPSLB-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
3-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-2-fluorobenzonitrile
CID 107114601
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 63896870
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (CID 63897583) is N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(CNCc2c(F)cccc2F)C1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is VOERFEYSSQPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-18-6-7-19(2)11(10-18)8-17-9-12-13(15)4-3-5-14(12)16/h3-5,11,17H,6-10H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 63897583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).