1-(4-methylpiperazin-1-yl)isoquinoline

C14H17N3 — CID 4687476

IUPAC1-(4-methylpiperazin-1-yl)isoquinoline
SMILESCN1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-13-5-3-2-4-12(13)6-7-15-14/h2-7H,8-11H2,1H3
InChIKeyUEPNIRMSPSJIAO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.99
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)isoquinoline

1-(4-methylpiperazin-1-yl)isoquinoline (PubChem CID 4687476) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)isoquinoline
PubChem CID4687476
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(4-methylpiperazin-1-yl)isoquinoline
SMILESCN1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-13-5-3-2-4-12(13)6-7-15-14/h2-7H,8-11H2,1H3
InChIKeyUEPNIRMSPSJIAO-UHFFFAOYSA-N
XLogP1.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Mirtazapine
CID 4205
Tripelennamine Hydrochloride
CID 9066
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
1-Isoquinolinamine
CID 73742
WZ 811
CID 11565518
N-Methylquipazine
CID 5013
(-)-Mirtazapine
CID 3085219
1,8-Naphthyridine
CID 136069
Isoquinolin-3-Amine
CID 311869
Esmirtazapine
CID 3085218
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)isoquinoline?
The IUPAC name of 1-(4-methylpiperazin-1-yl)isoquinoline (CID 4687476) is 1-(4-methylpiperazin-1-yl)isoquinoline.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)isoquinoline?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)isoquinoline is CN1CCN(c2nccc3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)isoquinoline?
The InChIKey is UEPNIRMSPSJIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-13-5-3-2-4-12(13)6-7-15-14/h2-7H,8-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)isoquinoline?
1-(4-methylpiperazin-1-yl)isoquinoline has a molecular weight of 227.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)isoquinoline is sourced from PubChem (CID 4687476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).