6-(4-piperazin-1-ylbutoxy)-1H-indazole

C15H22N4O — CID 134443326

IUPAC6-(4-piperazin-1-ylbutoxy)-1H-indazole
SMILESc1cc2cn[nH]c2cc1OCCCCN1CCNCC1
InChIInChI=1S/C15H22N4O/c1(7-19-8-5-16-6-9-19)2-10-20-14-4-3-13-12-17-18-15(13)11-14/h3-4,11-12,16H,1-2,5-10H2,(H,17,18)
InChIKeyMSORMTGAZPPZEV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.63
Rot. Bonds6

About 6-(4-piperazin-1-ylbutoxy)-1H-indazole

6-(4-piperazin-1-ylbutoxy)-1H-indazole (PubChem CID 134443326) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(4-piperazin-1-ylbutoxy)-1H-indazole.

Molecular Properties

Compound Name6-(4-piperazin-1-ylbutoxy)-1H-indazole
PubChem CID134443326
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-(4-piperazin-1-ylbutoxy)-1H-indazole
SMILESc1cc2cn[nH]c2cc1OCCCCN1CCNCC1
InChIInChI=1S/C15H22N4O/c1(7-19-8-5-16-6-9-19)2-10-20-14-4-3-13-12-17-18-15(13)11-14/h3-4,11-12,16H,1-2,5-10H2,(H,17,18)
InChIKeyMSORMTGAZPPZEV-UHFFFAOYSA-N
XLogP1.63
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)piperazin-1-yl]butoxy]-1H-indazole
CID 68634914
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
1-methyl-6-(2-piperazin-1-ylethoxy)indole
CID 155176364
1-(3-phenoxypropyl)piperazine
CID 2760351
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786

Frequently Asked Questions

What is the IUPAC name of 6-(4-piperazin-1-ylbutoxy)-1H-indazole?
The IUPAC name of 6-(4-piperazin-1-ylbutoxy)-1H-indazole (CID 134443326) is 6-(4-piperazin-1-ylbutoxy)-1H-indazole.
What is the SMILES notation for 6-(4-piperazin-1-ylbutoxy)-1H-indazole?
The canonical SMILES for 6-(4-piperazin-1-ylbutoxy)-1H-indazole is c1cc2cn[nH]c2cc1OCCCCN1CCNCC1.
What is the InChIKey of 6-(4-piperazin-1-ylbutoxy)-1H-indazole?
The InChIKey is MSORMTGAZPPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1(7-19-8-5-16-6-9-19)2-10-20-14-4-3-13-12-17-18-15(13)11-14/h3-4,11-12,16H,1-2,5-10H2,(H,17,18).
What are the key properties of 6-(4-piperazin-1-ylbutoxy)-1H-indazole?
6-(4-piperazin-1-ylbutoxy)-1H-indazole has a molecular weight of 274.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperazin-1-ylbutoxy)-1H-indazole is sourced from PubChem (CID 134443326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).