3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine

C17H24N2OS — CID 79736177

IUPAC3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C17H24N2OS/c18-8-3-11-20-15-6-9-19(10-7-15)12-14-13-21-17-5-2-1-4-16(14)17/h1-2,4-5,13,15H,3,6-12,18H2
InChIKeyRZRBOLWIRZJCJU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.23
Rot. Bonds6

About 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79736177) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79736177
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C17H24N2OS/c18-8-3-11-20-15-6-9-19(10-7-15)12-14-13-21-17-5-2-1-4-16(14)17/h1-2,4-5,13,15H,3,6-12,18H2
InChIKeyRZRBOLWIRZJCJU-UHFFFAOYSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine (CID 79736177) is 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(Cc2csc3ccccc23)CC1.
What is the InChIKey of 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is RZRBOLWIRZJCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c18-8-3-11-20-15-6-9-19(10-7-15)12-14-13-21-17-5-2-1-4-16(14)17/h1-2,4-5,13,15H,3,6-12,18H2.
What are the key properties of 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79736177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).