N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine

C15H21F3N2S — CID 107557061

IUPACN-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCN(Cc2ccc(CNC3CC3)s2)CC1
InChIInChI=1S/C15H21F3N2S/c16-15(17,18)11-5-7-20(8-6-11)10-14-4-3-13(21-14)9-19-12-1-2-12/h3-4,11-12,19H,1-2,5-10H2
InChIKeyCRFOHLMLIMTFSO-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.77
Rot. Bonds5

About N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107557061) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107557061
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCN(Cc2ccc(CNC3CC3)s2)CC1
InChIInChI=1S/C15H21F3N2S/c16-15(17,18)11-5-7-20(8-6-11)10-14-4-3-13(21-14)9-19-12-1-2-12/h3-4,11-12,19H,1-2,5-10H2
InChIKeyCRFOHLMLIMTFSO-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556747
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557262
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459
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
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555450
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-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557670
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65246388

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107557061) is N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine is FC(F)(F)C1CCN(Cc2ccc(CNC3CC3)s2)CC1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is CRFOHLMLIMTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c16-15(17,18)11-5-7-20(8-6-11)10-14-4-3-13(21-14)9-19-12-1-2-12/h3-4,11-12,19H,1-2,5-10H2.
What are the key properties of N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 318.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107557061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).