2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine

C15H20ClNS — CID 79223787

IUPAC2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
SMILESClCC1CCCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C15H20ClNS/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,3-4,6,8-11H2
InChIKeyJUVLTHFUDZZHQC-UHFFFAOYSA-N
MW281.85 g/mol
LogP3.80
Rot. Bonds3

About 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine

2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine (PubChem CID 79223787) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
PubChem CID79223787
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC Name2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
SMILESClCC1CCCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C15H20ClNS/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,3-4,6,8-11H2
InChIKeyJUVLTHFUDZZHQC-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine (CID 79223787) is 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine is ClCC1CCCCN1CC1Cc2ccccc2S1.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
The InChIKey is JUVLTHFUDZZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/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,3-4,6,8-11H2.
What are the key properties of 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine has a molecular weight of 281.85 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 79223787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).