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

C19H25Cl2N3OS — CID 118190210

IUPACN-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C19H25Cl2N3OS/c1-3-25-19-22-11-17(26-19)13-24-8-6-16(7-9-24)23(2)12-14-4-5-15(20)10-18(14)21/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3
InChIKeyZVWDMBQQDJYWIF-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.95
Rot. Bonds7

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

N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190210) has the molecular formula C19H25Cl2N3OS and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190210
Molecular FormulaC19H25Cl2N3OS
Molecular Weight414.40 g/mol
Exact Mass413.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C19H25Cl2N3OS/c1-3-25-19-22-11-17(26-19)13-24-8-6-16(7-9-24)23(2)12-14-4-5-15(20)10-18(14)21/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3
InChIKeyZVWDMBQQDJYWIF-UHFFFAOYSA-N
XLogP4.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 118190210) is N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is CCOc1ncc(CN2CCC(N(C)Cc3ccc(Cl)cc3Cl)CC2)s1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is ZVWDMBQQDJYWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3OS/c1-3-25-19-22-11-17(26-19)13-24-8-6-16(7-9-24)23(2)12-14-4-5-15(20)10-18(14)21/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 414.40 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).