5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine

C14H17FN4 — CID 82570043

IUPAC5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine
SMILESNc1ccc(F)c2ccnc(NC3CCNCC3)c12
InChIInChI=1S/C14H17FN4/c15-11-1-2-12(16)13-10(11)5-8-18-14(13)19-9-3-6-17-7-4-9/h1-2,5,8-9,17H,3-4,6-7,16H2,(H,18,19)
InChIKeyLHTCKYANKRFALF-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.12
Rot. Bonds2

About 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine

5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine (PubChem CID 82570043) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine.

Molecular Properties

Compound Name5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine
PubChem CID82570043
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine
SMILESNc1ccc(F)c2ccnc(NC3CCNCC3)c12
InChIInChI=1S/C14H17FN4/c15-11-1-2-12(16)13-10(11)5-8-18-14(13)19-9-3-6-17-7-4-9/h1-2,5,8-9,17H,3-4,6-7,16H2,(H,18,19)
InChIKeyLHTCKYANKRFALF-UHFFFAOYSA-N
XLogP2.12
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(8-amino-5-fluoroisoquinolin-1-yl)amino]ethanol
CID 82569992
5-fluoro-1-N-(2-methylpropyl)isoquinoline-1,8-diamine
CID 82569995
1-N-butyl-5-fluoroisoquinoline-1,8-diamine
CID 82569994
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
6-chloro-2-N-piperidin-4-ylpyridine-2,3-diamine
CID 123942355
N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine
CID 43522721
1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile
CID 82571269
2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 70341229
7-methyl-N-piperidin-4-ylisoquinolin-1-amine
CID 82570879
1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine
CID 82570042
3,4-diethyl-N-piperidin-4-ylpyridin-2-amine
CID 175211232
4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 141188379

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine?
The IUPAC name of 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine (CID 82570043) is 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine.
What is the SMILES notation for 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine?
The canonical SMILES for 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine is Nc1ccc(F)c2ccnc(NC3CCNCC3)c12.
What is the InChIKey of 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine?
The InChIKey is LHTCKYANKRFALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-11-1-2-12(16)13-10(11)5-8-18-14(13)19-9-3-6-17-7-4-9/h1-2,5,8-9,17H,3-4,6-7,16H2,(H,18,19).
What are the key properties of 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine?
5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine is sourced from PubChem (CID 82570043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).