ethane;7-piperidin-4-ylisoquinolin-1-amine

C18H29N3 — CID 91457940

IUPACethane;7-piperidin-4-ylisoquinolin-1-amine
SMILESCC.CC.Nc1nccc2ccc(C3CCNCC3)cc12
InChIInChI=1S/C14H17N3.2C2H6/c15-14-13-9-12(10-3-6-16-7-4-10)2-1-11(13)5-8-17-14;2*1-2/h1-2,5,8-10,16H,3-4,6-7H2,(H2,15,17);2*1-2H3
InChIKeyBKTJQCJLCJKHIH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.34
Rot. Bonds1

About ethane;7-piperidin-4-ylisoquinolin-1-amine

ethane;7-piperidin-4-ylisoquinolin-1-amine (PubChem CID 91457940) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is ethane;7-piperidin-4-ylisoquinolin-1-amine.

Molecular Properties

Compound Nameethane;7-piperidin-4-ylisoquinolin-1-amine
PubChem CID91457940
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Nameethane;7-piperidin-4-ylisoquinolin-1-amine
SMILESCC.CC.Nc1nccc2ccc(C3CCNCC3)cc12
InChIInChI=1S/C14H17N3.2C2H6/c15-14-13-9-12(10-3-6-16-7-4-10)2-1-11(13)5-8-17-14;2*1-2/h1-2,5,8-10,16H,3-4,6-7H2,(H2,15,17);2*1-2H3
InChIKeyBKTJQCJLCJKHIH-UHFFFAOYSA-N
XLogP4.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)pyridin-3-ol
CID 134329906
3-methyl-7-piperidin-4-ylisoquinoline
CID 117325822
2-methyl-5-piperidin-4-ylaniline
CID 105444511
2-ethoxy-4-piperidin-4-ylpyridine;methane
CID 158415857
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
7-methylisoquinolin-1-amine;propane
CID 142933220
4-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine
CID 175193586
2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
CID 95846619
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594625
2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
CID 142347682
2-fluoro-5-piperidin-4-ylaniline
CID 24904346

Frequently Asked Questions

What is the IUPAC name of ethane;7-piperidin-4-ylisoquinolin-1-amine?
The IUPAC name of ethane;7-piperidin-4-ylisoquinolin-1-amine (CID 91457940) is ethane;7-piperidin-4-ylisoquinolin-1-amine.
What is the SMILES notation for ethane;7-piperidin-4-ylisoquinolin-1-amine?
The canonical SMILES for ethane;7-piperidin-4-ylisoquinolin-1-amine is CC.CC.Nc1nccc2ccc(C3CCNCC3)cc12.
What is the InChIKey of ethane;7-piperidin-4-ylisoquinolin-1-amine?
The InChIKey is BKTJQCJLCJKHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.2C2H6/c15-14-13-9-12(10-3-6-16-7-4-10)2-1-11(13)5-8-17-14;2*1-2/h1-2,5,8-10,16H,3-4,6-7H2,(H2,15,17);2*1-2H3.
What are the key properties of ethane;7-piperidin-4-ylisoquinolin-1-amine?
ethane;7-piperidin-4-ylisoquinolin-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-piperidin-4-ylisoquinolin-1-amine is sourced from PubChem (CID 91457940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).