4-(1-benzothiophen-3-yl)-3-methylpiperidine

C14H17NS — CID 79320889

IUPAC4-(1-benzothiophen-3-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1csc2ccccc12
InChIInChI=1S/C14H17NS/c1-10-8-15-7-6-11(10)13-9-16-14-5-3-2-4-12(13)14/h2-5,9-11,15H,6-8H2,1H3
InChIKeyBYOQKGMPCXTMSW-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.61
Rot. Bonds1

About 4-(1-benzothiophen-3-yl)-3-methylpiperidine

4-(1-benzothiophen-3-yl)-3-methylpiperidine (PubChem CID 79320889) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-3-methylpiperidine
PubChem CID79320889
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4-(1-benzothiophen-3-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1csc2ccccc12
InChIInChI=1S/C14H17NS/c1-10-8-15-7-6-11(10)13-9-16-14-5-3-2-4-12(13)14/h2-5,9-11,15H,6-8H2,1H3
InChIKeyBYOQKGMPCXTMSW-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-3-methylazetidine
CID 116822222
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
2-(1-benzothiophen-3-yl)piperidine
CID 4538625
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
CID 63737908
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
CID 171194953
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
CID 107514264
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
CID 116855972
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole
CID 164650982

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-3-methylpiperidine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-3-methylpiperidine (CID 79320889) is 4-(1-benzothiophen-3-yl)-3-methylpiperidine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-3-methylpiperidine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-3-methylpiperidine is CC1CNCCC1c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-3-methylpiperidine?
The InChIKey is BYOQKGMPCXTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-8-15-7-6-11(10)13-9-16-14-5-3-2-4-12(13)14/h2-5,9-11,15H,6-8H2,1H3.
What are the key properties of 4-(1-benzothiophen-3-yl)-3-methylpiperidine?
4-(1-benzothiophen-3-yl)-3-methylpiperidine has a molecular weight of 231.36 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-3-methylpiperidine is sourced from PubChem (CID 79320889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).