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

C12H21N3OS — CID 114284448

IUPACN-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCOC1(CNCc2csc(C)n2)CCNCC1
InChIInChI=1S/C12H21N3OS/c1-10-15-11(8-17-10)7-14-9-12(16-2)3-5-13-6-4-12/h8,13-14H,3-7,9H2,1-2H3
InChIKeyKDFNOODQWPUYAG-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.31
Rot. Bonds5

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

N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 114284448) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID114284448
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCOC1(CNCc2csc(C)n2)CCNCC1
InChIInChI=1S/C12H21N3OS/c1-10-15-11(8-17-10)7-14-9-12(16-2)3-5-13-6-4-12/h8,13-14H,3-7,9H2,1-2H3
InChIKeyKDFNOODQWPUYAG-UHFFFAOYSA-N
XLogP1.31
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 63129839
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 60999909
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 61284018
4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
CID 120641072
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 114284448) is N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is COC1(CNCc2csc(C)n2)CCNCC1.
What is the InChIKey of N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is KDFNOODQWPUYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-15-11(8-17-10)7-14-9-12(16-2)3-5-13-6-4-12/h8,13-14H,3-7,9H2,1-2H3.
What are the key properties of N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 255.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 114284448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).