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

C22H28Cl2N2 — CID 3068683

IUPAC7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCCCC1)C2.Cl.Cl
InChIInChI=1S/C22H26N2.2ClH/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;2*1H
InChIKeyNFFQNPFTNFBEEV-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.09
Rot. Bonds3

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

7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride (PubChem CID 3068683) has the molecular formula C22H28Cl2N2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride.

Molecular Properties

Compound Name7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride
PubChem CID3068683
Molecular FormulaC22H28Cl2N2
Molecular Weight391.39 g/mol
Exact Mass390.16
IUPAC Name7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCCCC1)C2.Cl.Cl
InChIInChI=1S/C22H26N2.2ClH/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;2*1H
InChIKeyNFFQNPFTNFBEEV-UHFFFAOYSA-N
XLogP5.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.09
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;dihydrochloride?
The IUPAC name of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride (CID 3068683) is 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride.
What is the SMILES notation for 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride?
The canonical SMILES for 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride is Cc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCCCC1)C2.Cl.Cl.
What is the InChIKey of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride?
The InChIKey is NFFQNPFTNFBEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.2ClH/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;2*1H.
What are the key properties of 7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride?
7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline;dihydrochloride has a molecular weight of 391.39 g/mol, XLogP of 5.09, 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;dihydrochloride is sourced from PubChem (CID 3068683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).