3-(3-piperazin-1-ylpropyl)isoquinoline

C16H21N3 — CID 170868308

IUPAC3-(3-piperazin-1-ylpropyl)isoquinoline
SMILESc1ccc2cc(CCCN3CCNCC3)ncc2c1
InChIInChI=1S/C16H21N3/c1-2-5-15-13-18-16(12-14(15)4-1)6-3-9-19-10-7-17-8-11-19/h1-2,4-5,12-13,17H,3,6-11H2
InChIKeyRORJYFKKCKJNFL-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.07
Rot. Bonds4

About 3-(3-piperazin-1-ylpropyl)isoquinoline

3-(3-piperazin-1-ylpropyl)isoquinoline (PubChem CID 170868308) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylpropyl)isoquinoline.

Molecular Properties

Compound Name3-(3-piperazin-1-ylpropyl)isoquinoline
PubChem CID170868308
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(3-piperazin-1-ylpropyl)isoquinoline
SMILESc1ccc2cc(CCCN3CCNCC3)ncc2c1
InChIInChI=1S/C16H21N3/c1-2-5-15-13-18-16(12-14(15)4-1)6-3-9-19-10-7-17-8-11-19/h1-2,4-5,12-13,17H,3,6-11H2
InChIKeyRORJYFKKCKJNFL-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylpropyl)isoquinoline?
The IUPAC name of 3-(3-piperazin-1-ylpropyl)isoquinoline (CID 170868308) is 3-(3-piperazin-1-ylpropyl)isoquinoline.
What is the SMILES notation for 3-(3-piperazin-1-ylpropyl)isoquinoline?
The canonical SMILES for 3-(3-piperazin-1-ylpropyl)isoquinoline is c1ccc2cc(CCCN3CCNCC3)ncc2c1.
What is the InChIKey of 3-(3-piperazin-1-ylpropyl)isoquinoline?
The InChIKey is RORJYFKKCKJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-5-15-13-18-16(12-14(15)4-1)6-3-9-19-10-7-17-8-11-19/h1-2,4-5,12-13,17H,3,6-11H2.
What are the key properties of 3-(3-piperazin-1-ylpropyl)isoquinoline?
3-(3-piperazin-1-ylpropyl)isoquinoline has a molecular weight of 255.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylpropyl)isoquinoline is sourced from PubChem (CID 170868308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).