1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine

C15H19NS — CID 117185593

IUPAC1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
SMILESCc1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C15H19NS/c1-12-5-6-14-13(11-17-15(14)9-12)10-16-7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyUTJHZSVEBDPFMZ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.20
Rot. Bonds2

About 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine

1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine (PubChem CID 117185593) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
PubChem CID117185593
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
SMILESCc1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C15H19NS/c1-12-5-6-14-13(11-17-15(14)9-12)10-16-7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyUTJHZSVEBDPFMZ-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053
1-[(6-bromo-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 117178039
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
CID 117185055
[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060389
4-[(6-bromo-1-benzothiophen-3-yl)methyl]morpholine
CID 117178058
3-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185621
N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
CID 117185619
methyl 2-(6-methyl-1-benzothiophen-3-yl)acetate
CID 58828756
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
3-(6-methyl-1-benzothiophen-3-yl)propanoic acid
CID 57310358
2-[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63738856

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine?
The IUPAC name of 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine (CID 117185593) is 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine is Cc1ccc2c(CN3CCCCC3)csc2c1.
What is the InChIKey of 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine?
The InChIKey is UTJHZSVEBDPFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-5-6-14-13(11-17-15(14)9-12)10-16-7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine?
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine has a molecular weight of 245.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine is sourced from PubChem (CID 117185593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).