1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine

C14H21F2N3 — CID 107163064

IUPAC1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
SMILESCN1CCC(C)(CNc2cc(F)cc(F)c2N)CC1
InChIInChI=1S/C14H21F2N3/c1-14(3-5-19(2)6-4-14)9-18-12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9,17H2,1-2H3
InChIKeyCVVASYVTGLGTKH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.69
Rot. Bonds3

About 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine

1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine (PubChem CID 107163064) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
PubChem CID107163064
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
SMILESCN1CCC(C)(CNc2cc(F)cc(F)c2N)CC1
InChIInChI=1S/C14H21F2N3/c1-14(3-5-19(2)6-4-14)9-18-12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9,17H2,1-2H3
InChIKeyCVVASYVTGLGTKH-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
CID 83116976
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 107162990
3-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenesulfonamide
CID 107163046
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-nitrobenzene-1,2-diamine
CID 107163006
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
CID 115506691
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 107162958
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
1-N-(4,4-dimethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507045

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine (CID 107163064) is 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine is CN1CCC(C)(CNc2cc(F)cc(F)c2N)CC1.
What is the InChIKey of 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
The InChIKey is CVVASYVTGLGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-14(3-5-19(2)6-4-14)9-18-12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9,17H2,1-2H3.
What are the key properties of 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine has a molecular weight of 269.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 107163064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).