1-(1-benzothiophen-3-ylmethyl)piperidine chloride

C14H17ClNS- — CID 53347465

IUPAC1-(1-benzothiophen-3-ylmethyl)piperidine chloride
SMILES[Cl-].c1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C14H17NS.ClH/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14;/h2-3,6-7,11H,1,4-5,8-10H2;1H/p-1
InChIKeyMKDRHQBQBHMVNP-UHFFFAOYSA-M
MW266.82 g/mol
LogP0.89
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)piperidine chloride

1-(1-benzothiophen-3-ylmethyl)piperidine chloride (PubChem CID 53347465) has the molecular formula C14H17ClNS- and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)piperidine chloride.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)piperidine chloride
PubChem CID53347465
Molecular FormulaC14H17ClNS-
Molecular Weight266.82 g/mol
Exact Mass266.08
IUPAC Name1-(1-benzothiophen-3-ylmethyl)piperidine chloride
SMILES[Cl-].c1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C14H17NS.ClH/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14;/h2-3,6-7,11H,1,4-5,8-10H2;1H/p-1
InChIKeyMKDRHQBQBHMVNP-UHFFFAOYSA-M
XLogP0.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63738856
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053
(2S)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]propane-1,2-diol
CID 30637791
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
1-[(6-bromo-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 117178039
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 112834711
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)piperidine chloride?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)piperidine chloride (CID 53347465) is 1-(1-benzothiophen-3-ylmethyl)piperidine chloride.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)piperidine chloride?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)piperidine chloride is [Cl-].c1ccc2c(CN3CCCCC3)csc2c1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)piperidine chloride?
The InChIKey is MKDRHQBQBHMVNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17NS.ClH/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14;/h2-3,6-7,11H,1,4-5,8-10H2;1H/p-1.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)piperidine chloride?
1-(1-benzothiophen-3-ylmethyl)piperidine chloride has a molecular weight of 266.82 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)piperidine chloride is sourced from PubChem (CID 53347465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).