2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline

C19H26N4 — CID 74231985

IUPAC2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ncc(CN2CCC(N3CCc4ccccc4C3)CC2)[nH]1
InChIInChI=1S/C19H26N4/c1-15-20-12-18(21-15)14-22-9-7-19(8-10-22)23-11-6-16-4-2-3-5-17(16)13-23/h2-5,12,19H,6-11,13-14H2,1H3,(H,20,21)
InChIKeyMMAUJXWMHMUKII-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.74
Rot. Bonds3

About 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline

2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 74231985) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID74231985
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ncc(CN2CCC(N3CCc4ccccc4C3)CC2)[nH]1
InChIInChI=1S/C19H26N4/c1-15-20-12-18(21-15)14-22-9-7-19(8-10-22)23-11-6-16-4-2-3-5-17(16)13-23/h2-5,12,19H,6-11,13-14H2,1H3,(H,20,21)
InChIKeyMMAUJXWMHMUKII-UHFFFAOYSA-N
XLogP2.74
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 74231985) is 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline is Cc1ncc(CN2CCC(N3CCc4ccccc4C3)CC2)[nH]1.
What is the InChIKey of 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MMAUJXWMHMUKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-20-12-18(21-15)14-22-9-7-19(8-10-22)23-11-6-16-4-2-3-5-17(16)13-23/h2-5,12,19H,6-11,13-14H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 310.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 74231985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).