N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine

C12H17F2N3 — CID 80503148

IUPACN-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H17F2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)8-12(10)14/h2-3,8,15H,4-7,9H2,1H3
InChIKeyNQRMIVHPQXLIKU-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.22
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine

N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine (PubChem CID 80503148) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
PubChem CID80503148
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H17F2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)8-12(10)14/h2-3,8,15H,4-7,9H2,1H3
InChIKeyNQRMIVHPQXLIKU-UHFFFAOYSA-N
XLogP1.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine
CID 83010011
N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
CID 83014067
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
N-[(4-chloro-2-nitrophenyl)methyl]-4-methylpiperazin-1-amine
CID 83020819
N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83008977
4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
CID 80503081
CID 58696093
CID 58696093
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine (CID 80503148) is N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is NQRMIVHPQXLIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)8-12(10)14/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine?
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 241.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 80503148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).