1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine

C14H16ClNS — CID 821719

IUPAC1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine
SMILESClc1ccc2scc(CN3CCCCC3)c2c1
InChIInChI=1S/C14H16ClNS/c15-12-4-5-14-13(8-12)11(10-17-14)9-16-6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2
InChIKeyAVUJQDWGFOVYCY-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.54
Rot. Bonds2

About 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine

1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine (PubChem CID 821719) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine
PubChem CID821719
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine
SMILESClc1ccc2scc(CN3CCCCC3)c2c1
InChIInChI=1S/C14H16ClNS/c15-12-4-5-14-13(8-12)11(10-17-14)9-16-6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2
InChIKeyAVUJQDWGFOVYCY-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ticlopidine
CID 5472
Ticlopidine Hydrochloride
CID 65335
7-Chloro-2-ethyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 10946567
(E)-N-[(3-chloro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine
CID 6918070
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
(5-Chlorobenzo[b]thiophen-3-yl)methanamine
CID 2798782
2-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 12412170
2-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-diethylethanamine
CID 12412174
1-[2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)ethyl]pyrrolidine
CID 12412178
3-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 12412198
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride
CID 3041280
Ethanol, 2-(N-((5-chlorobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202037

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine?
The IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine (CID 821719) is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine is Clc1ccc2scc(CN3CCCCC3)c2c1.
What is the InChIKey of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine?
The InChIKey is AVUJQDWGFOVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c15-12-4-5-14-13(8-12)11(10-17-14)9-16-6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine?
1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine has a molecular weight of 265.81 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine is sourced from PubChem (CID 821719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).