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

C16H19Cl2N3S — CID 118190295

IUPACN-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESClc1cccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)c1
InChIInChI=1S/C16H19Cl2N3S/c17-13-3-1-2-12(8-13)9-19-14-4-6-21(7-5-14)11-15-10-20-16(18)22-15/h1-3,8,10,14,19H,4-7,9,11H2
InChIKeyRHNYLAFQRYICSD-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.20
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 118190295) has the molecular formula C16H19Cl2N3S and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine
PubChem CID118190295
Molecular FormulaC16H19Cl2N3S
Molecular Weight356.32 g/mol
Exact Mass355.07
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESClc1cccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)c1
InChIInChI=1S/C16H19Cl2N3S/c17-13-3-1-2-12(8-13)9-19-14-4-6-21(7-5-14)11-15-10-20-16(18)22-15/h1-3,8,10,14,19H,4-7,9,11H2
InChIKeyRHNYLAFQRYICSD-UHFFFAOYSA-N
XLogP4.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine (CID 118190295) is N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine is Clc1cccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is RHNYLAFQRYICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3S/c17-13-3-1-2-12(8-13)9-19-14-4-6-21(7-5-14)11-15-10-20-16(18)22-15/h1-3,8,10,14,19H,4-7,9,11H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 356.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).