N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine

C18H25N3OS — CID 56800886

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine
SMILESCCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)cs1
InChIInChI=1S/C18H25N3OS/c1-3-18-20-15(13-23-18)12-19-14-8-10-21(11-9-14)16-4-6-17(22-2)7-5-16/h4-7,13-14,19H,3,8-12H2,1-2H3
InChIKeyROFLJIMJUFBMED-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.47
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 56800886) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine
PubChem CID56800886
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine
SMILESCCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)cs1
InChIInChI=1S/C18H25N3OS/c1-3-18-20-15(13-23-18)12-19-14-8-10-21(11-9-14)16-4-6-17(22-2)7-5-16/h4-7,13-14,19H,3,8-12H2,1-2H3
InChIKeyROFLJIMJUFBMED-UHFFFAOYSA-N
XLogP3.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine (CID 56800886) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine is CCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine?
The InChIKey is ROFLJIMJUFBMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-3-18-20-15(13-23-18)12-19-14-8-10-21(11-9-14)16-4-6-17(22-2)7-5-16/h4-7,13-14,19H,3,8-12H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 331.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 56800886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).