4-(piperazin-1-ylmethyl)isoquinoline

C14H17N3 — CID 84791624

IUPAC4-(piperazin-1-ylmethyl)isoquinoline
SMILESc1ccc2c(CN3CCNCC3)cncc2c1
InChIInChI=1S/C14H17N3/c1-2-4-14-12(3-1)9-16-10-13(14)11-17-7-5-15-6-8-17/h1-4,9-10,15H,5-8,11H2
InChIKeyMNALEXSCZNGLCP-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.64
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)isoquinoline

4-(piperazin-1-ylmethyl)isoquinoline (PubChem CID 84791624) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)isoquinoline.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)isoquinoline
PubChem CID84791624
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(piperazin-1-ylmethyl)isoquinoline
SMILESc1ccc2c(CN3CCNCC3)cncc2c1
InChIInChI=1S/C14H17N3/c1-2-4-14-12(3-1)9-16-10-13(14)11-17-7-5-15-6-8-17/h1-4,9-10,15H,5-8,11H2
InChIKeyMNALEXSCZNGLCP-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazin-1-ylmethyl)-2,6-naphthyridine
CID 84792284
4-(piperazin-1-ylmethyl)cinnoline
CID 83893270
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)isoquinoline
CID 102678718
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-(isoquinolin-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104504388
isoquinolin-4-ylmethanethiol
CID 104505444
2-(1,4-diazepan-1-yl)-1-isoquinolin-4-ylethanone
CID 116565512
4-(1-benzofuran-2-yl)-6-(piperazin-1-ylmethyl)isoquinoline
CID 122457812
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 104505277
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)isoquinoline?
The IUPAC name of 4-(piperazin-1-ylmethyl)isoquinoline (CID 84791624) is 4-(piperazin-1-ylmethyl)isoquinoline.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)isoquinoline?
The canonical SMILES for 4-(piperazin-1-ylmethyl)isoquinoline is c1ccc2c(CN3CCNCC3)cncc2c1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)isoquinoline?
The InChIKey is MNALEXSCZNGLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-14-12(3-1)9-16-10-13(14)11-17-7-5-15-6-8-17/h1-4,9-10,15H,5-8,11H2.
What are the key properties of 4-(piperazin-1-ylmethyl)isoquinoline?
4-(piperazin-1-ylmethyl)isoquinoline has a molecular weight of 227.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)isoquinoline is sourced from PubChem (CID 84791624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).