N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine

C17H20Cl2FN3S — CID 118190219

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1c(F)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H20Cl2FN3S/c1-22(11-14-15(18)3-2-4-16(14)20)12-5-7-23(8-6-12)10-13-9-21-17(19)24-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyLCMGBTLSGZDKPL-UHFFFAOYSA-N
MW388.34 g/mol
LogP4.69
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190219) has the molecular formula C17H20Cl2FN3S and a molecular weight of 388.34 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190219
Molecular FormulaC17H20Cl2FN3S
Molecular Weight388.34 g/mol
Exact Mass387.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1c(F)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H20Cl2FN3S/c1-22(11-14-15(18)3-2-4-16(14)20)12-5-7-23(8-6-12)10-13-9-21-17(19)24-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyLCMGBTLSGZDKPL-UHFFFAOYSA-N
XLogP4.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 118190219) is N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is CN(Cc1c(F)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is LCMGBTLSGZDKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2FN3S/c1-22(11-14-15(18)3-2-4-16(14)20)12-5-7-23(8-6-12)10-13-9-21-17(19)24-13/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 388.34 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).