(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine

C12H17F2N3 — CID 116941381

IUPAC(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(C(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H17F2N3/c1-17-5-4-16-11(7-17)12(15)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,16H,4-5,7,15H2,1H3
InChIKeyLTMFJVPAKGTBBA-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.87
Rot. Bonds2

About (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine

(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine (PubChem CID 116941381) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
PubChem CID116941381
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(C(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H17F2N3/c1-17-5-4-16-11(7-17)12(15)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,16H,4-5,7,15H2,1H3
InChIKeyLTMFJVPAKGTBBA-UHFFFAOYSA-N
XLogP0.87
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941438
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 82305573
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941411
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine (CID 116941381) is (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine is CN1CCNC(C(N)c2cc(F)ccc2F)C1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is LTMFJVPAKGTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-17-5-4-16-11(7-17)12(15)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,16H,4-5,7,15H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine?
(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 241.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).