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

C12H21N3S — CID 115879382

IUPAC1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C)C(C)C1)c1cscn1
InChIInChI=1S/C12H21N3S/c1-9-6-11(4-5-15(9)3)14-10(2)12-7-16-8-13-12/h7-11,14H,4-6H2,1-3H3
InChIKeyKKJZKUTZDNYXPX-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.28
Rot. Bonds3

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

1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 115879382) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
PubChem CID115879382
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C)C(C)C1)c1cscn1
InChIInChI=1S/C12H21N3S/c1-9-6-11(4-5-15(9)3)14-10(2)12-7-16-8-13-12/h7-11,14H,4-6H2,1-3H3
InChIKeyKKJZKUTZDNYXPX-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine (CID 115879382) is 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine is CC(NC1CCN(C)C(C)C1)c1cscn1.
What is the InChIKey of 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is KKJZKUTZDNYXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-6-11(4-5-15(9)3)14-10(2)12-7-16-8-13-12/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115879382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).