N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine

C12H20N2OS — CID 53273824

IUPACN-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine
SMILESCOCc1ccc(CNN2CCCCC2)s1
InChIInChI=1S/C12H20N2OS/c1-15-10-12-6-5-11(16-12)9-13-14-7-3-2-4-8-14/h5-6,13H,2-4,7-10H2,1H3
InChIKeyPRZGGIUAXWSNSA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.38
Rot. Bonds5

About N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine

N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine (PubChem CID 53273824) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine
PubChem CID53273824
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine
SMILESCOCc1ccc(CNN2CCCCC2)s1
InChIInChI=1S/C12H20N2OS/c1-15-10-12-6-5-11(16-12)9-13-14-7-3-2-4-8-14/h5-6,13H,2-4,7-10H2,1H3
InChIKeyPRZGGIUAXWSNSA-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine?
The IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine (CID 53273824) is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine?
The canonical SMILES for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine is COCc1ccc(CNN2CCCCC2)s1.
What is the InChIKey of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine?
The InChIKey is PRZGGIUAXWSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-15-10-12-6-5-11(16-12)9-13-14-7-3-2-4-8-14/h5-6,13H,2-4,7-10H2,1H3.
What are the key properties of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine?
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]piperidin-1-amine is sourced from PubChem (CID 53273824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).