7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline

C15H22N2O — CID 82384226

IUPAC7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1N1CCCCC1)CCCN2
InChIInChI=1S/C15H22N2O/c1-18-15-11-13-12(6-5-7-16-13)10-14(15)17-8-3-2-4-9-17/h10-11,16H,2-9H2,1H3
InChIKeyMLTNGEONFJEFOC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.04
Rot. Bonds2

About 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline

7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 82384226) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
PubChem CID82384226
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1N1CCCCC1)CCCN2
InChIInChI=1S/C15H22N2O/c1-18-15-11-13-12(6-5-7-16-13)10-14(15)17-8-3-2-4-9-17/h10-11,16H,2-9H2,1H3
InChIKeyMLTNGEONFJEFOC-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline (CID 82384226) is 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1N1CCCCC1)CCCN2.
What is the InChIKey of 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is MLTNGEONFJEFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-15-11-13-12(6-5-7-16-13)10-14(15)17-8-3-2-4-9-17/h10-11,16H,2-9H2,1H3.
What are the key properties of 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline?
7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 246.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82384226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).