N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine

C14H25N3OS — CID 62543952

IUPACN-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCOCCNC1(c2nccs2)CCN(C(C)C)CC1
InChIInChI=1S/C14H25N3OS/c1-12(2)17-8-4-14(5-9-17,16-6-10-18-3)13-15-7-11-19-13/h7,11-12,16H,4-6,8-10H2,1-3H3
InChIKeyUGDLQBCGWACKCC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.08
Rot. Bonds6

About N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine

N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 62543952) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID62543952
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCOCCNC1(c2nccs2)CCN(C(C)C)CC1
InChIInChI=1S/C14H25N3OS/c1-12(2)17-8-4-14(5-9-17,16-6-10-18-3)13-15-7-11-19-13/h7,11-12,16H,4-6,8-10H2,1-3H3
InChIKeyUGDLQBCGWACKCC-UHFFFAOYSA-N
XLogP2.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine (CID 62543952) is N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine is COCCNC1(c2nccs2)CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is UGDLQBCGWACKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-12(2)17-8-4-14(5-9-17,16-6-10-18-3)13-15-7-11-19-13/h7,11-12,16H,4-6,8-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 283.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-propan-2-yl-4-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 62543952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).