1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole

C20H25N3 — CID 12786438

IUPAC1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole
SMILESCc1cnc(C)n2c1c(CCN1CCCCC1)c1ccccc12
InChIInChI=1S/C20H25N3/c1-15-14-21-16(2)23-19-9-5-4-8-17(19)18(20(15)23)10-13-22-11-6-3-7-12-22/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyJISWMQLERULRLJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.13
Rot. Bonds3

About 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole

1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole (PubChem CID 12786438) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole.

Molecular Properties

Compound Name1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole
PubChem CID12786438
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole
SMILESCc1cnc(C)n2c1c(CCN1CCCCC1)c1ccccc12
InChIInChI=1S/C20H25N3/c1-15-14-21-16(2)23-19-9-5-4-8-17(19)18(20(15)23)10-13-22-11-6-3-7-12-22/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyJISWMQLERULRLJ-UHFFFAOYSA-N
XLogP4.13
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole?
The IUPAC name of 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole (CID 12786438) is 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole.
What is the SMILES notation for 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole?
The canonical SMILES for 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole is Cc1cnc(C)n2c1c(CCN1CCCCC1)c1ccccc12.
What is the InChIKey of 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole?
The InChIKey is JISWMQLERULRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-15-14-21-16(2)23-19-9-5-4-8-17(19)18(20(15)23)10-13-22-11-6-3-7-12-22/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole?
1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole has a molecular weight of 307.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole is sourced from PubChem (CID 12786438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).