2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

C21H26N4O2 — CID 25009894

IUPAC2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H26N4O2/c26-9-10-27-20-5-1-3-16(11-20)14-25-8-2-4-19(15-25)23-18-6-7-21-17(12-18)13-22-24-21/h1,3,5-7,11-13,19,23,26H,2,4,8-10,14-15H2,(H,22,24)
InChIKeyPDNRANQFZBPQEF-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.01
Rot. Bonds7

About 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 25009894) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID25009894
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H26N4O2/c26-9-10-27-20-5-1-3-16(11-20)14-25-8-2-4-19(15-25)23-18-6-7-21-17(12-18)13-22-24-21/h1,3,5-7,11-13,19,23,26H,2,4,8-10,14-15H2,(H,22,24)
InChIKeyPDNRANQFZBPQEF-UHFFFAOYSA-N
XLogP3.01
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

N-(1-(3,5-dimethoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098475
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 25009895
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 25010076
2-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010079
3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
CID 25010080
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010081
2-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010253

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol (CID 25009894) is 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol is OCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is PDNRANQFZBPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-9-10-27-20-5-1-3-16(11-20)14-25-8-2-4-19(15-25)23-18-6-7-21-17(12-18)13-22-24-21/h1,3,5-7,11-13,19,23,26H,2,4,8-10,14-15H2,(H,22,24).
What are the key properties of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 366.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 25009894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).