3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine

C17H26N2OS — CID 79737349

IUPAC3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C17H26N2OS/c18-8-3-11-20-15-6-9-19(10-7-15)13-16-12-14-4-1-2-5-17(14)21-16/h1-2,4-5,15-16H,3,6-13,18H2
InChIKeyRWEVBWRJSHXRPH-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.53
Rot. Bonds6

About 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79737349) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79737349
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C17H26N2OS/c18-8-3-11-20-15-6-9-19(10-7-15)13-16-12-14-4-1-2-5-17(14)21-16/h1-2,4-5,15-16H,3,6-13,18H2
InChIKeyRWEVBWRJSHXRPH-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.53
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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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 79312215
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
CID 79228637
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
CID 79737048
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
CID 82906952
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79223714
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine (CID 79737349) is 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(CC2Cc3ccccc3S2)CC1.
What is the InChIKey of 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is RWEVBWRJSHXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c18-8-3-11-20-15-6-9-19(10-7-15)13-16-12-14-4-1-2-5-17(14)21-16/h1-2,4-5,15-16H,3,6-13,18H2.
What are the key properties of 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79737349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).