4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine

C14H19NS — CID 84796490

IUPAC4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine
SMILESc1cc2c(cc1CC1CCNCC1)CCS2
InChIInChI=1S/C14H19NS/c1-2-14-13(5-8-16-14)10-12(1)9-11-3-6-15-7-4-11/h1-2,10-11,15H,3-9H2
InChIKeyPIWBBYJRXJIYEZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.88
Rot. Bonds2

About 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine

4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine (PubChem CID 84796490) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine
PubChem CID84796490
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine
SMILESc1cc2c(cc1CC1CCNCC1)CCS2
InChIInChI=1S/C14H19NS/c1-2-14-13(5-8-16-14)10-12(1)9-11-3-6-15-7-4-11/h1-2,10-11,15H,3-9H2
InChIKeyPIWBBYJRXJIYEZ-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84793092
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-(piperidin-4-ylmethyl)phenol
CID 17039495
3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
CID 116927974
3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone
CID 116916957
4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
CID 116999268
2-amino-4-(piperidin-4-ylmethyl)phenol
CID 117117856

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine (CID 84796490) is 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine is c1cc2c(cc1CC1CCNCC1)CCS2.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine?
The InChIKey is PIWBBYJRXJIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-14-13(5-8-16-14)10-12(1)9-11-3-6-15-7-4-11/h1-2,10-11,15H,3-9H2.
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine?
4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine is sourced from PubChem (CID 84796490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).