N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine

C21H33F2N3 — CID 30852616

IUPACN-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(Cc1cccc(F)c1F)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H33F2N3/c1-3-25(16-18-5-4-6-20(22)21(18)23)15-17-7-13-26(14-8-17)19-9-11-24(2)12-10-19/h4-6,17,19H,3,7-16H2,1-2H3
InChIKeyJITXGWIORVXQGL-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.59
Rot. Bonds6

About N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine

N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 30852616) has the molecular formula C21H33F2N3 and a molecular weight of 365.51 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID30852616
Molecular FormulaC21H33F2N3
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCN(Cc1cccc(F)c1F)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H33F2N3/c1-3-25(16-18-5-4-6-20(22)21(18)23)15-17-7-13-26(14-8-17)19-9-11-24(2)12-10-19/h4-6,17,19H,3,7-16H2,1-2H3
InChIKeyJITXGWIORVXQGL-UHFFFAOYSA-N
XLogP3.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 22493471
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
N-benzyl-N-(2-phenylethyl)-1-propyl-4-piperidinamine
CID 2846300
1-Benzyl-4-methylpiperidine
CID 3966943
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
1-[(4-Fluorophenyl)methyl]-4-methylpiperazine
CID 765182
1-benzyl-4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazine
CID 1376447
1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-piperidinamine
CID 23646098
Tyrosinase Inhibitor, 4
CID 23727896
N-(3-fluorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 782100
1-benzyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 784043

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine (CID 30852616) is N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine is CCN(Cc1cccc(F)c1F)CC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is JITXGWIORVXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F2N3/c1-3-25(16-18-5-4-6-20(22)21(18)23)15-17-7-13-26(14-8-17)19-9-11-24(2)12-10-19/h4-6,17,19H,3,7-16H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine?
N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 365.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 30852616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).