1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C18H26ClFN2O — CID 119129346

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESFc1cccc(Cl)c1CNCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C18H26ClFN2O/c19-16-5-4-6-17(20)15(16)13-21-14-18(7-11-23-12-8-18)22-9-2-1-3-10-22/h4-6,21H,1-3,7-14H2
InChIKeyZKAZIHMHAUDDPC-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129346) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129346
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESFc1cccc(Cl)c1CNCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C18H26ClFN2O/c19-16-5-4-6-17(20)15(16)13-21-14-18(7-11-23-12-8-18)22-9-2-1-3-10-22/h4-6,21H,1-3,7-14H2
InChIKeyZKAZIHMHAUDDPC-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 119129214
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129275
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115807
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 34718564
1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129183
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129346) is 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is Fc1cccc(Cl)c1CNCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is ZKAZIHMHAUDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFN2O/c19-16-5-4-6-17(20)15(16)13-21-14-18(7-11-23-12-8-18)22-9-2-1-3-10-22/h4-6,21H,1-3,7-14H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 340.87 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).