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

C14H19NS — CID 18545992

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
SMILESc1ccc2c(c1)CC(CN1CCCCC1)S2
InChIInChI=1S/C14H19NS/c1-4-8-15(9-5-1)11-13-10-12-6-2-3-7-14(12)16-13/h2-3,6-7,13H,1,4-5,8-11H2
InChIKeyDDNZUYRZPONOFZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.19
Rot. Bonds2

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

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine (PubChem CID 18545992) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
PubChem CID18545992
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
SMILESc1ccc2c(c1)CC(CN1CCCCC1)S2
InChIInChI=1S/C14H19NS/c1-4-8-15(9-5-1)11-13-10-12-6-2-3-7-14(12)16-13/h2-3,6-7,13H,1,4-5,8-11H2
InChIKeyDDNZUYRZPONOFZ-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79311786
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 79312215
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 79315166
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 79224356
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943759
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
CID 102745315
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
CID 79228477
2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 79223787

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine (CID 18545992) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine is c1ccc2c(c1)CC(CN1CCCCC1)S2.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
The InChIKey is DDNZUYRZPONOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-4-8-15(9-5-1)11-13-10-12-6-2-3-7-14(12)16-13/h2-3,6-7,13H,1,4-5,8-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 18545992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).