4-methyl-7-piperidin-4-ylisoquinoline

C15H18N2 — CID 117325821

IUPAC4-methyl-7-piperidin-4-ylisoquinoline
SMILESCc1cncc2cc(C3CCNCC3)ccc12
InChIInChI=1S/C15H18N2/c1-11-9-17-10-14-8-13(2-3-15(11)14)12-4-6-16-7-5-12/h2-3,8-10,12,16H,4-7H2,1H3
InChIKeyZXWXTDBWMWGTEH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.01
Rot. Bonds1

About 4-methyl-7-piperidin-4-ylisoquinoline

4-methyl-7-piperidin-4-ylisoquinoline (PubChem CID 117325821) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-7-piperidin-4-ylisoquinoline.

Molecular Properties

Compound Name4-methyl-7-piperidin-4-ylisoquinoline
PubChem CID117325821
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-methyl-7-piperidin-4-ylisoquinoline
SMILESCc1cncc2cc(C3CCNCC3)ccc12
InChIInChI=1S/C15H18N2/c1-11-9-17-10-14-8-13(2-3-15(11)14)12-4-6-16-7-5-12/h2-3,8-10,12,16H,4-7H2,1H3
InChIKeyZXWXTDBWMWGTEH-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-piperidin-4-yl-4-(trifluoromethyl)isoquinoline
CID 117449782
3-methyl-7-piperidin-4-ylisoquinoline
CID 117325822
2-methyl-5-piperidin-4-ylaniline
CID 105444511
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-methyl-4-piperidin-4-ylpyridine
CID 64985067
ethane;4-(4-methylphenyl)piperidine
CID 145467036
3-methyl-5-[(3S)-pyrrolidin-3-yl]pyridine
CID 96736316
6-piperidin-4-yl-2,1-benzoxazole
CID 84776818
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
ethane;7-piperidin-4-ylisoquinolin-1-amine
CID 91457940

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-piperidin-4-ylisoquinoline?
The IUPAC name of 4-methyl-7-piperidin-4-ylisoquinoline (CID 117325821) is 4-methyl-7-piperidin-4-ylisoquinoline.
What is the SMILES notation for 4-methyl-7-piperidin-4-ylisoquinoline?
The canonical SMILES for 4-methyl-7-piperidin-4-ylisoquinoline is Cc1cncc2cc(C3CCNCC3)ccc12.
What is the InChIKey of 4-methyl-7-piperidin-4-ylisoquinoline?
The InChIKey is ZXWXTDBWMWGTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-9-17-10-14-8-13(2-3-15(11)14)12-4-6-16-7-5-12/h2-3,8-10,12,16H,4-7H2,1H3.
What are the key properties of 4-methyl-7-piperidin-4-ylisoquinoline?
4-methyl-7-piperidin-4-ylisoquinoline has a molecular weight of 226.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-piperidin-4-ylisoquinoline is sourced from PubChem (CID 117325821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).