[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine

C15H22N2S — CID 79222902

IUPAC[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C15H22N2S/c16-10-13-6-3-4-8-17(13)11-14-9-12-5-1-2-7-15(12)18-14/h1-2,5,7,13-14H,3-4,6,8-11,16H2
InChIKeyPFDNIEZOXAJSDP-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.52
Rot. Bonds3

About [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine

[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 79222902) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
PubChem CID79222902
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C15H22N2S/c16-10-13-6-3-4-8-17(13)11-14-9-12-5-1-2-7-15(12)18-14/h1-2,5,7,13-14H,3-4,6,8-11,16H2
InChIKeyPFDNIEZOXAJSDP-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 79223787
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylpiperidin-2-yl]methanamine
CID 79228319
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-pyrrolidin-2-ylpiperidine
CID 79228410
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 79315103
1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79311786
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
CID 79224036
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943759

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine (CID 79222902) is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine is NCC1CCCCN1CC1Cc2ccccc2S1.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is PFDNIEZOXAJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c16-10-13-6-3-4-8-17(13)11-14-9-12-5-1-2-7-15(12)18-14/h1-2,5,7,13-14H,3-4,6,8-11,16H2.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine?
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 262.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 79222902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).