2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol

C14H20N4O2 — CID 107490774

IUPAC2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
SMILESNc1cc2cn[nH]c2cc1N1CCC(OCCO)CC1
InChIInChI=1S/C14H20N4O2/c15-12-7-10-9-16-17-13(10)8-14(12)18-3-1-11(2-4-18)20-6-5-19/h7-9,11,19H,1-6,15H2,(H,16,17)
InChIKeyYNERQOIJFCXNSE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds4

About 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol

2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol (PubChem CID 107490774) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
PubChem CID107490774
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
SMILESNc1cc2cn[nH]c2cc1N1CCC(OCCO)CC1
InChIInChI=1S/C14H20N4O2/c15-12-7-10-9-16-17-13(10)8-14(12)18-3-1-11(2-4-18)20-6-5-19/h7-9,11,19H,1-6,15H2,(H,16,17)
InChIKeyYNERQOIJFCXNSE-UHFFFAOYSA-N
XLogP1.12
TPSA87.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053
6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
CID 107490375
2-[1-(5-amino-1H-indazol-6-yl)piperidin-2-yl]ethanol
CID 107488175
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
2-[1-(3-amino-5-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82696655
4-amino-3-[4-(2-hydroxyethoxy)piperidin-1-yl]benzoic acid
CID 82796667
6-(3-morpholin-4-ylpyrrolidin-1-yl)-1H-indazol-5-amine
CID 107490188
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-indazol-5-amine
CID 107490647
4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide
CID 56840017
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol (CID 107490774) is 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol is Nc1cc2cn[nH]c2cc1N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol?
The InChIKey is YNERQOIJFCXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-12-7-10-9-16-17-13(10)8-14(12)18-3-1-11(2-4-18)20-6-5-19/h7-9,11,19H,1-6,15H2,(H,16,17).
What are the key properties of 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol?
2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol has a molecular weight of 276.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 107490774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).