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

C19H26ClN3OS — CID 118190176

IUPACN-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccccc3Cl)CC2)s1
InChIInChI=1S/C19H26ClN3OS/c1-3-24-19-21-12-17(25-19)14-23-10-8-16(9-11-23)22(2)13-15-6-4-5-7-18(15)20/h4-7,12,16H,3,8-11,13-14H2,1-2H3
InChIKeyVNUYQXSUDSKUDR-UHFFFAOYSA-N
MW379.96 g/mol
LogP4.29
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190176) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190176
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccccc3Cl)CC2)s1
InChIInChI=1S/C19H26ClN3OS/c1-3-24-19-21-12-17(25-19)14-23-10-8-16(9-11-23)22(2)13-15-6-4-5-7-18(15)20/h4-7,12,16H,3,8-11,13-14H2,1-2H3
InChIKeyVNUYQXSUDSKUDR-UHFFFAOYSA-N
XLogP4.29
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 118190176) is N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is CCOc1ncc(CN2CCC(N(C)Cc3ccccc3Cl)CC2)s1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is VNUYQXSUDSKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3OS/c1-3-24-19-21-12-17(25-19)14-23-10-8-16(9-11-23)22(2)13-15-6-4-5-7-18(15)20/h4-7,12,16H,3,8-11,13-14H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 379.96 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).