N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine

C16H26N2OS — CID 107557670

IUPACN-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCOCC1CCCN(Cc2ccc(CNC3CC3)s2)C1
InChIInChI=1S/C16H26N2OS/c1-19-12-13-3-2-8-18(10-13)11-16-7-6-15(20-16)9-17-14-4-5-14/h6-7,13-14,17H,2-5,8-12H2,1H3
InChIKeyBPUYTKJTSOQBFH-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.86
Rot. Bonds7

About N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107557670) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107557670
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCOCC1CCCN(Cc2ccc(CNC3CC3)s2)C1
InChIInChI=1S/C16H26N2OS/c1-19-12-13-3-2-8-18(10-13)11-16-7-6-15(20-16)9-17-14-4-5-14/h6-7,13-14,17H,2-5,8-12H2,1H3
InChIKeyBPUYTKJTSOQBFH-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557672
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557262
N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556778
N-[[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555649
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556834
N-[[5-[(2-ethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555922
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556747
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555415
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106589270

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107557670) is N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine is COCC1CCCN(Cc2ccc(CNC3CC3)s2)C1.
What is the InChIKey of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is BPUYTKJTSOQBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-19-12-13-3-2-8-18(10-13)11-16-7-6-15(20-16)9-17-14-4-5-14/h6-7,13-14,17H,2-5,8-12H2,1H3.
What are the key properties of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 294.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107557670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).