[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine

C12H20N2S — CID 107555522

IUPAC[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCC1CCCN(Cc2ccc(CN)s2)C1
InChIInChI=1S/C12H20N2S/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyAPCJJMYHTPJIMY-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.44
Rot. Bonds3

About [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine

[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 107555522) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID107555522
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCC1CCCN(Cc2ccc(CN)s2)C1
InChIInChI=1S/C12H20N2S/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyAPCJJMYHTPJIMY-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
CID 107556033
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438898
5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 82424746
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 107556962
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine (CID 107555522) is [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine is CC1CCCN(Cc2ccc(CN)s2)C1.
What is the InChIKey of [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is APCJJMYHTPJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h4-5,10H,2-3,6-9,13H2,1H3.
What are the key properties of [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107555522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).