N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine

C12H21N3S — CID 63250806

IUPACN-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C12H21N3S/c1-10-14-12(9-16-10)8-15-5-3-11(4-6-15)7-13-2/h9,11,13H,3-8H2,1-2H3
InChIKeyFXIIFFVBOPGFIQ-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.88
Rot. Bonds4

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

N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 63250806) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
PubChem CID63250806
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C12H21N3S/c1-10-14-12(9-16-10)8-15-5-3-11(4-6-15)7-13-2/h9,11,13H,3-8H2,1-2H3
InChIKeyFXIIFFVBOPGFIQ-UHFFFAOYSA-N
XLogP1.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119649633
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372614
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111117688
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine
CID 75428140
2-methyl-1-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119159981
(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 97231931

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine (CID 63250806) is N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine is CNCC1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is FXIIFFVBOPGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-14-12(9-16-10)8-15-5-3-11(4-6-15)7-13-2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 63250806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).