1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine

C16H22N2S — CID 65475550

IUPAC1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ccc3sccc3c2)C1
InChIInChI=1S/C16H22N2S/c1-2-8-17-14-4-3-9-18(12-14)15-5-6-16-13(11-15)7-10-19-16/h5-7,10-11,14,17H,2-4,8-9,12H2,1H3
InChIKeyDLDHBASYKUYTNA-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.87
Rot. Bonds4

About 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine

1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine (PubChem CID 65475550) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine
PubChem CID65475550
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ccc3sccc3c2)C1
InChIInChI=1S/C16H22N2S/c1-2-8-17-14-4-3-9-18(12-14)15-5-6-16-13(11-15)7-10-19-16/h5-7,10-11,14,17H,2-4,8-9,12H2,1H3
InChIKeyDLDHBASYKUYTNA-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine?
The IUPAC name of 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine (CID 65475550) is 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine is CCCNC1CCCN(c2ccc3sccc3c2)C1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine?
The InChIKey is DLDHBASYKUYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-8-17-14-4-3-9-18(12-14)15-5-6-16-13(11-15)7-10-19-16/h5-7,10-11,14,17H,2-4,8-9,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine?
1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine has a molecular weight of 274.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 65475550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).