1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C13H22N2S — CID 114421441

IUPAC1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CC(C)CCN2)s1
InChIInChI=1S/C13H22N2S/c1-10-5-6-15-12(7-10)8-14-9-13-4-3-11(2)16-13/h3-4,10,12,14-15H,5-9H2,1-2H3
InChIKeyQVRDRGBEUMBQKB-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 114421441) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID114421441
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CC(C)CCN2)s1
InChIInChI=1S/C13H22N2S/c1-10-5-6-15-12(7-10)8-14-9-13-4-3-11(2)16-13/h3-4,10,12,14-15H,5-9H2,1-2H3
InChIKeyQVRDRGBEUMBQKB-UHFFFAOYSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 114421441) is 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is Cc1ccc(CNCC2CC(C)CCN2)s1.
What is the InChIKey of 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is QVRDRGBEUMBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-6-15-12(7-10)8-14-9-13-4-3-11(2)16-13/h3-4,10,12,14-15H,5-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 114421441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).