1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline

C21H22N2O — CID 13302246

IUPAC1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline
SMILESCc1ccccc1-c1nc(OC2CCNCC2)cc2ccccc12
InChIInChI=1S/C21H22N2O/c1-15-6-2-4-8-18(15)21-19-9-5-3-7-16(19)14-20(23-21)24-17-10-12-22-13-11-17/h2-9,14,17,22H,10-13H2,1H3
InChIKeyHYYJVRIVPKJDHR-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.34
Rot. Bonds3

About 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline

1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline (PubChem CID 13302246) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline
PubChem CID13302246
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline
SMILESCc1ccccc1-c1nc(OC2CCNCC2)cc2ccccc12
InChIInChI=1S/C21H22N2O/c1-15-6-2-4-8-18(15)21-19-9-5-3-7-16(19)14-20(23-21)24-17-10-12-22-13-11-17/h2-9,14,17,22H,10-13H2,1H3
InChIKeyHYYJVRIVPKJDHR-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-piperidin-4-ylisoquinoline
CID 13319923
4-(2-methylphenyl)-2-piperidin-4-ylquinazoline
CID 11289673
4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine
CID 10224086
ethane;2-piperidin-4-yloxypyridine
CID 142889945
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626
4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine
CID 81342506
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084434
2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
CID 171337557
1-chloroethyl carbonochloridate;4-(2-methylphenyl)-2-piperidin-4-ylquinazoline;hydrochloride
CID 157127278
5-chloro-4-methyl-2-piperidin-4-yloxypyridine;dihydrochloride
CID 69411333
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline?
The IUPAC name of 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline (CID 13302246) is 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline.
What is the SMILES notation for 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline?
The canonical SMILES for 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline is Cc1ccccc1-c1nc(OC2CCNCC2)cc2ccccc12.
What is the InChIKey of 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline?
The InChIKey is HYYJVRIVPKJDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-6-2-4-8-18(15)21-19-9-5-3-7-16(19)14-20(23-21)24-17-10-12-22-13-11-17/h2-9,14,17,22H,10-13H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline?
1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline has a molecular weight of 318.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline is sourced from PubChem (CID 13302246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).