N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine

C17H26N4 — CID 3062571

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESCC1CCCC(C)N1CCCNc1n[nH]c2ccccc12
InChIInChI=1S/C17H26N4/c1-13-7-5-8-14(2)21(13)12-6-11-18-17-15-9-3-4-10-16(15)19-20-17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyWGOFCCGLYQIQSC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.63
Rot. Bonds5

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine (PubChem CID 3062571) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine
PubChem CID3062571
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESCC1CCCC(C)N1CCCNc1n[nH]c2ccccc12
InChIInChI=1S/C17H26N4/c1-13-7-5-8-14(2)21(13)12-6-11-18-17-15-9-3-4-10-16(15)19-20-17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyWGOFCCGLYQIQSC-UHFFFAOYSA-N
XLogP3.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
N-(1-Ethyl-4-piperidyl)-N-(1H-5-indazolyl)-amine
CID 17838238
3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide
CID 23641602
N-(3-fluorophenyl)-1H-indazol-3-amine
CID 25096268
N-(1-Benzylpiperidin-3-yl)-3-methyl-2H-indazol-5-amine
CID 44421899
6-(3-Amino-1H-indazol-6-yl)-N4-cyclopentyl-2,4-pyrimidinediamine
CID 46214649
6-(3-Amino-1H-indazol-6-yl)-N4-(1-methylethyl)-2,4-pyrimidinediamine
CID 51356854
1-(3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121365342
1-Phenethyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperazine
CID 10735344
N-(1-(3,4-dimethylbenzyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405431
N-(1-(4-chlorobenzyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405459

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine (CID 3062571) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine is CC1CCCC(C)N1CCCNc1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The InChIKey is WGOFCCGLYQIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13-7-5-8-14(2)21(13)12-6-11-18-17-15-9-3-4-10-16(15)19-20-17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine has a molecular weight of 286.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1H-indazol-3-amine is sourced from PubChem (CID 3062571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).