5-(piperidin-3-ylmethoxy)-1H-indazole

C13H17N3O — CID 117051742

IUPAC5-(piperidin-3-ylmethoxy)-1H-indazole
SMILESc1cc2[nH]ncc2cc1OCC1CCCNC1
InChIInChI=1S/C13H17N3O/c1-2-10(7-14-5-1)9-17-12-3-4-13-11(6-12)8-15-16-13/h3-4,6,8,10,14H,1-2,5,7,9H2,(H,15,16)
InChIKeyBCLFKLTUSDFDPY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.94
Rot. Bonds3

About 5-(piperidin-3-ylmethoxy)-1H-indazole

5-(piperidin-3-ylmethoxy)-1H-indazole (PubChem CID 117051742) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethoxy)-1H-indazole.

Molecular Properties

Compound Name5-(piperidin-3-ylmethoxy)-1H-indazole
PubChem CID117051742
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(piperidin-3-ylmethoxy)-1H-indazole
SMILESc1cc2[nH]ncc2cc1OCC1CCCNC1
InChIInChI=1S/C13H17N3O/c1-2-10(7-14-5-1)9-17-12-3-4-13-11(6-12)8-15-16-13/h3-4,6,8,10,14H,1-2,5,7,9H2,(H,15,16)
InChIKeyBCLFKLTUSDFDPY-UHFFFAOYSA-N
XLogP1.94
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
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(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine
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(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethoxy)-1H-indazole?
The IUPAC name of 5-(piperidin-3-ylmethoxy)-1H-indazole (CID 117051742) is 5-(piperidin-3-ylmethoxy)-1H-indazole.
What is the SMILES notation for 5-(piperidin-3-ylmethoxy)-1H-indazole?
The canonical SMILES for 5-(piperidin-3-ylmethoxy)-1H-indazole is c1cc2[nH]ncc2cc1OCC1CCCNC1.
What is the InChIKey of 5-(piperidin-3-ylmethoxy)-1H-indazole?
The InChIKey is BCLFKLTUSDFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-10(7-14-5-1)9-17-12-3-4-13-11(6-12)8-15-16-13/h3-4,6,8,10,14H,1-2,5,7,9H2,(H,15,16).
What are the key properties of 5-(piperidin-3-ylmethoxy)-1H-indazole?
5-(piperidin-3-ylmethoxy)-1H-indazole has a molecular weight of 231.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethoxy)-1H-indazole is sourced from PubChem (CID 117051742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).