2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine

C11H19N3OS — CID 63902488

IUPAC2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESc1nc(CNCCOC2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-3-12-4-2-11(1)15-6-5-13-7-10-8-16-9-14-10/h8-9,11-13H,1-7H2
InChIKeyJNTKAMKQTYKITG-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.00
Rot. Bonds6

About 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 63902488) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID63902488
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESc1nc(CNCCOC2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-3-12-4-2-11(1)15-6-5-13-7-10-8-16-9-14-10/h8-9,11-13H,1-7H2
InChIKeyJNTKAMKQTYKITG-UHFFFAOYSA-N
XLogP1.00
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 55251350
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
2-methyl-N-(2-piperidin-4-yloxyethyl)propan-1-amine
CID 63903400
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63824137
2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
CID 79478623
N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
CID 65275900
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 104606342

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 63902488) is 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine is c1nc(CNCCOC2CCNCC2)cs1.
What is the InChIKey of 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is JNTKAMKQTYKITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-12-4-2-11(1)15-6-5-13-7-10-8-16-9-14-10/h8-9,11-13H,1-7H2.
What are the key properties of 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 63902488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).