1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine

C17H29N3S — CID 71916232

IUPAC1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
SMILESCN(C)CCN1CCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C17H29N3S/c1-19(2)11-12-20-9-6-14(7-10-20)18-16-4-3-5-17-15(16)8-13-21-17/h8,13-14,16,18H,3-7,9-12H2,1-2H3
InChIKeyONIDLISIKWGMSR-UHFFFAOYSA-N
MW307.51 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine

1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine (PubChem CID 71916232) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
PubChem CID71916232
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
SMILESCN(C)CCN1CCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C17H29N3S/c1-19(2)11-12-20-9-6-14(7-10-20)18-16-4-3-5-17-15(16)8-13-21-17/h8,13-14,16,18H,3-7,9-12H2,1-2H3
InChIKeyONIDLISIKWGMSR-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine (CID 71916232) is 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine is CN(C)CCN1CCC(NC2CCCc3sccc32)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
The InChIKey is ONIDLISIKWGMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-19(2)11-12-20-9-6-14(7-10-20)18-16-4-3-5-17-15(16)8-13-21-17/h8,13-14,16,18H,3-7,9-12H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine has a molecular weight of 307.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine is sourced from PubChem (CID 71916232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).