4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride

C16H22ClN — CID 20520183

IUPAC4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride
SMILESC1=CC(CCC2CCNCC2)c2ccccc21.Cl
InChIInChI=1S/C16H21N.ClH/c1-2-4-16-14(3-1)7-8-15(16)6-5-13-9-11-17-12-10-13;/h1-4,7-8,13,15,17H,5-6,9-12H2;1H
InChIKeyIPRWENOJJSIZBO-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.00
Rot. Bonds3

About 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride

4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride (PubChem CID 20520183) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride
PubChem CID20520183
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride
SMILESC1=CC(CCC2CCNCC2)c2ccccc21.Cl
InChIInChI=1S/C16H21N.ClH/c1-2-4-16-14(3-1)7-8-15(16)6-5-13-9-11-17-12-10-13;/h1-4,7-8,13,15,17H,5-6,9-12H2;1H
InChIKeyIPRWENOJJSIZBO-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride (CID 20520183) is 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride is C1=CC(CCC2CCNCC2)c2ccccc21.Cl.
What is the InChIKey of 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride?
The InChIKey is IPRWENOJJSIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N.ClH/c1-2-4-16-14(3-1)7-8-15(16)6-5-13-9-11-17-12-10-13;/h1-4,7-8,13,15,17H,5-6,9-12H2;1H.
What are the key properties of 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride?
4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-inden-1-yl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 20520183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).