[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

C14H18N4O2 — CID 110468728

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(CCO)CC1
InChIInChI=1S/C14H18N4O2/c19-9-8-17-4-6-18(7-5-17)14(20)11-2-1-3-13-12(11)10-15-16-13/h1-3,10,19H,4-9H2,(H,15,16)
InChIKeyYNFPPUNJOCNJAA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.31
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (PubChem CID 110468728) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
PubChem CID110468728
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(CCO)CC1
InChIInChI=1S/C14H18N4O2/c19-9-8-17-4-6-18(7-5-17)14(20)11-2-1-3-13-12(11)10-15-16-13/h1-3,10,19H,4-9H2,(H,15,16)
InChIKeyYNFPPUNJOCNJAA-UHFFFAOYSA-N
XLogP0.31
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
CID 167988048
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166328389
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
(5-amino-1H-pyrazol-4-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107224095
N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (CID 110468728) is [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is YNFPPUNJOCNJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-9-8-17-4-6-18(7-5-17)14(20)11-2-1-3-13-12(11)10-15-16-13/h1-3,10,19H,4-9H2,(H,15,16).
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 110468728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).