5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride

C13H18Cl2N2 — CID 68824080

IUPAC5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Clc1cc2c(cc1N1CCCCC1)CNC2
InChIInChI=1S/C13H17ClN2.ClH/c14-12-6-10-8-15-9-11(10)7-13(12)16-4-2-1-3-5-16;/h6-7,15H,1-5,8-9H2;1H
InChIKeyMVUJYJXIUUKJDS-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.36
Rot. Bonds1

About 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride

5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 68824080) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID68824080
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Clc1cc2c(cc1N1CCCCC1)CNC2
InChIInChI=1S/C13H17ClN2.ClH/c14-12-6-10-8-15-9-11(10)7-13(12)16-4-2-1-3-5-16;/h6-7,15H,1-5,8-9H2;1H
InChIKeyMVUJYJXIUUKJDS-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride (CID 68824080) is 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride is Cl.Clc1cc2c(cc1N1CCCCC1)CNC2.
What is the InChIKey of 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is MVUJYJXIUUKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2.ClH/c14-12-6-10-8-15-9-11(10)7-13(12)16-4-2-1-3-5-16;/h6-7,15H,1-5,8-9H2;1H.
What are the key properties of 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride?
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 273.21 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 68824080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).