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

C19H25Cl2N3OS — CID 118190294

IUPACN-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3c(Cl)cccc3Cl)CC2)s1
InChIInChI=1S/C19H25Cl2N3OS/c1-3-25-19-22-11-15(26-19)12-24-9-7-14(8-10-24)23(2)13-16-17(20)5-4-6-18(16)21/h4-6,11,14H,3,7-10,12-13H2,1-2H3
InChIKeyMRFQUEZUCOOVFV-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.95
Rot. Bonds7

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

N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190294) has the molecular formula C19H25Cl2N3OS and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190294
Molecular FormulaC19H25Cl2N3OS
Molecular Weight414.40 g/mol
Exact Mass413.11
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3c(Cl)cccc3Cl)CC2)s1
InChIInChI=1S/C19H25Cl2N3OS/c1-3-25-19-22-11-15(26-19)12-24-9-7-14(8-10-24)23(2)13-16-17(20)5-4-6-18(16)21/h4-6,11,14H,3,7-10,12-13H2,1-2H3
InChIKeyMRFQUEZUCOOVFV-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 118190294) is N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is CCOc1ncc(CN2CCC(N(C)Cc3c(Cl)cccc3Cl)CC2)s1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is MRFQUEZUCOOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3OS/c1-3-25-19-22-11-15(26-19)12-24-9-7-14(8-10-24)23(2)13-16-17(20)5-4-6-18(16)21/h4-6,11,14H,3,7-10,12-13H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
N-[(2,6-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-[(2,6-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).