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

C14H25N3S — CID 114430985

IUPAC1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCC1CCNC(CN(C)Cc2csc(C)n2)C1
InChIInChI=1S/C14H25N3S/c1-4-12-5-6-15-13(7-12)8-17(3)9-14-10-18-11(2)16-14/h10,12-13,15H,4-9H2,1-3H3
InChIKeyHWFGGDOSBLRTMG-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds5

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

1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 114430985) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID114430985
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCC1CCNC(CN(C)Cc2csc(C)n2)C1
InChIInChI=1S/C14H25N3S/c1-4-12-5-6-15-13(7-12)8-17(3)9-14-10-18-11(2)16-14/h10,12-13,15H,4-9H2,1-3H3
InChIKeyHWFGGDOSBLRTMG-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 114430985) is 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is CCC1CCNC(CN(C)Cc2csc(C)n2)C1.
What is the InChIKey of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is HWFGGDOSBLRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-12-5-6-15-13(7-12)8-17(3)9-14-10-18-11(2)16-14/h10,12-13,15H,4-9H2,1-3H3.
What are the key properties of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 114430985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).