N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine

C14H21F2N3 — CID 107932671

IUPACN-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C14H21F2N3/c1-18-7-5-11(6-8-18)19(2)12-4-3-10(9-17)13(15)14(12)16/h3-4,11H,5-9,17H2,1-2H3
InChIKeyFSIRURRRYBZTHV-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.95
Rot. Bonds3

About N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine

N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 107932671) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID107932671
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccc(CN)c(F)c2F)CC1
InChIInChI=1S/C14H21F2N3/c1-18-7-5-11(6-8-18)19(2)12-4-3-10(9-17)13(15)14(12)16/h3-4,11H,5-9,17H2,1-2H3
InChIKeyFSIRURRRYBZTHV-UHFFFAOYSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline
CID 107933009
4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
CID 114017570
5-(aminomethyl)-N,2-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine
CID 81248708
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
N-[2-(2-aminoethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 63782695
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 63667565
2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 102920256
6-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 62299838
N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
CID 110454587
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-2-amine
CID 62300001

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine (CID 107932671) is N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)c2ccc(CN)c(F)c2F)CC1.
What is the InChIKey of N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is FSIRURRRYBZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-18-7-5-11(6-8-18)19(2)12-4-3-10(9-17)13(15)14(12)16/h3-4,11H,5-9,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine?
N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 107932671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).