7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline

C22H26N2 — CID 3068684

IUPAC7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCCCC1)C2
InChIInChI=1S/C22H26N2/c1-17-10-11-19-15-20(16-24-12-6-3-7-13-24)23-22(21(19)14-17)18-8-4-2-5-9-18/h2,4-5,8-11,14,20H,3,6-7,12-13,15-16H2,1H3
InChIKeyVXPQFGSJGQGTJP-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.24
Rot. Bonds3

About 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline

7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline (PubChem CID 3068684) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline
PubChem CID3068684
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCCCC1)C2
InChIInChI=1S/C22H26N2/c1-17-10-11-19-15-20(16-24-12-6-3-7-13-24)23-22(21(19)14-17)18-8-4-2-5-9-18/h2,4-5,8-11,14,20H,3,6-7,12-13,15-16H2,1H3
InChIKeyVXPQFGSJGQGTJP-UHFFFAOYSA-N
XLogP4.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline (CID 3068684) is 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline is Cc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCCCC1)C2.
What is the InChIKey of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline?
The InChIKey is VXPQFGSJGQGTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-17-10-11-19-15-20(16-24-12-6-3-7-13-24)23-22(21(19)14-17)18-8-4-2-5-9-18/h2,4-5,8-11,14,20H,3,6-7,12-13,15-16H2,1H3.
What are the key properties of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline?
7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline has a molecular weight of 318.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 3068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).