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

C17H21ClFN3S — CID 118190298

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1ccc(F)cc1)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H21ClFN3S/c1-21(11-13-2-4-14(19)5-3-13)15-6-8-22(9-7-15)12-16-10-20-17(18)23-16/h2-5,10,15H,6-9,11-12H2,1H3
InChIKeyPNRISDXHYSYSQV-UHFFFAOYSA-N
MW353.89 g/mol
LogP4.03
Rot. Bonds5

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190298) has the molecular formula C17H21ClFN3S and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190298
Molecular FormulaC17H21ClFN3S
Molecular Weight353.89 g/mol
Exact Mass353.11
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1ccc(F)cc1)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H21ClFN3S/c1-21(11-13-2-4-14(19)5-3-13)15-6-8-22(9-7-15)12-16-10-20-17(18)23-16/h2-5,10,15H,6-9,11-12H2,1H3
InChIKeyPNRISDXHYSYSQV-UHFFFAOYSA-N
XLogP4.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine (CID 118190298) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine is CN(Cc1ccc(F)cc1)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is PNRISDXHYSYSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3S/c1-21(11-13-2-4-14(19)5-3-13)15-6-8-22(9-7-15)12-16-10-20-17(18)23-16/h2-5,10,15H,6-9,11-12H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 353.89 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).