2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

C23H31N3O — CID 11710352

IUPAC2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(OCCCN3CCCCC3)ccc2C(c2cccnc2)C1
InChIInChI=1S/C23H31N3O/c1-25-17-20-15-21(27-14-6-13-26-11-3-2-4-12-26)8-9-22(20)23(18-25)19-7-5-10-24-16-19/h5,7-10,15-16,23H,2-4,6,11-14,17-18H2,1H3
InChIKeyNTSRPHUDHUWUTM-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.91
Rot. Bonds6

About 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 11710352) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID11710352
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(OCCCN3CCCCC3)ccc2C(c2cccnc2)C1
InChIInChI=1S/C23H31N3O/c1-25-17-20-15-21(27-14-6-13-26-11-3-2-4-12-26)8-9-22(20)23(18-25)19-7-5-10-24-16-19/h5,7-10,15-16,23H,2-4,6,11-14,17-18H2,1H3
InChIKeyNTSRPHUDHUWUTM-UHFFFAOYSA-N
XLogP3.91
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (CID 11710352) is 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(OCCCN3CCCCC3)ccc2C(c2cccnc2)C1.
What is the InChIKey of 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is NTSRPHUDHUWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-25-17-20-15-21(27-14-6-13-26-11-3-2-4-12-26)8-9-22(20)23(18-25)19-7-5-10-24-16-19/h5,7-10,15-16,23H,2-4,6,11-14,17-18H2,1H3.
What are the key properties of 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 365.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11710352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).