7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline

C14H17ClN2O — CID 142759851

IUPAC7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline
SMILESClc1cc2c(cc1OC1CCNCC1)C=CNC2
InChIInChI=1S/C14H17ClN2O/c15-13-7-11-9-17-4-1-10(11)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-8,12,16-17H,2-3,5-6,9H2
InChIKeyBTABOJUVFPHKOM-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.54
Rot. Bonds2

About 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline

7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline (PubChem CID 142759851) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline
PubChem CID142759851
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline
SMILESClc1cc2c(cc1OC1CCNCC1)C=CNC2
InChIInChI=1S/C14H17ClN2O/c15-13-7-11-9-17-4-1-10(11)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-8,12,16-17H,2-3,5-6,9H2
InChIKeyBTABOJUVFPHKOM-UHFFFAOYSA-N
XLogP2.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline?
The IUPAC name of 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline (CID 142759851) is 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline?
The canonical SMILES for 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline is Clc1cc2c(cc1OC1CCNCC1)C=CNC2.
What is the InChIKey of 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline?
The InChIKey is BTABOJUVFPHKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-13-7-11-9-17-4-1-10(11)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-8,12,16-17H,2-3,5-6,9H2.
What are the key properties of 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline?
7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline has a molecular weight of 264.76 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-piperidin-4-yloxy-1,2-dihydroisoquinoline is sourced from PubChem (CID 142759851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).