[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone

C18H20F2N2O2S — CID 119468773

IUPAC[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
SMILESNCC1CCCCN1C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C18H20F2N2O2S/c19-18(20)24-14-6-4-12(5-7-14)15-8-9-16(25-15)17(23)22-10-2-1-3-13(22)11-21/h4-9,13,18H,1-3,10-11,21H2
InChIKeyJYPIDSWYMWCMPP-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.97
Rot. Bonds5

About [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone

[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone (PubChem CID 119468773) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
PubChem CID119468773
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
SMILESNCC1CCCCN1C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C18H20F2N2O2S/c19-18(20)24-14-6-4-12(5-7-14)15-8-9-16(25-15)17(23)22-10-2-1-3-13(22)11-21/h4-9,13,18H,1-3,10-11,21H2
InChIKeyJYPIDSWYMWCMPP-UHFFFAOYSA-N
XLogP3.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 119402846
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119638226
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
[4-(difluoromethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 90649899
[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119469301
1-[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259014
[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79538817
[2-(bromomethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 80658459
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
[2-(bromomethyl)azepan-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 116639325

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone (CID 119468773) is [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone is NCC1CCCCN1C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone?
The InChIKey is JYPIDSWYMWCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c19-18(20)24-14-6-4-12(5-7-14)15-8-9-16(25-15)17(23)22-10-2-1-3-13(22)11-21/h4-9,13,18H,1-3,10-11,21H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone is sourced from PubChem (CID 119468773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).