1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine

C17H24N2S — CID 114910264

IUPAC1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H24N2S/c1-12(18)14-7-9-19(10-8-14)13(2)17-11-15-5-3-4-6-16(15)20-17/h3-6,11-14H,7-10,18H2,1-2H3
InChIKeyDJKFCPIYTHAFDN-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.02
Rot. Bonds3

About 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine

1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine (PubChem CID 114910264) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine
PubChem CID114910264
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H24N2S/c1-12(18)14-7-9-19(10-8-14)13(2)17-11-15-5-3-4-6-16(15)20-17/h3-6,11-14H,7-10,18H2,1-2H3
InChIKeyDJKFCPIYTHAFDN-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine (CID 114910264) is 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(C(C)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine?
The InChIKey is DJKFCPIYTHAFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(18)14-7-9-19(10-8-14)13(2)17-11-15-5-3-4-6-16(15)20-17/h3-6,11-14H,7-10,18H2,1-2H3.
What are the key properties of 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine?
1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 114910264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).