2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

C21H26N4O2 — CID 25009893

IUPAC2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H26N4O2/c26-10-11-27-20-6-3-16(4-7-20)14-25-9-1-2-19(15-25)23-18-5-8-21-17(12-18)13-22-24-21/h3-8,12-13,19,23,26H,1-2,9-11,14-15H2,(H,22,24)
InChIKeyCIHPIJHUAGKONW-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 25009893) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID25009893
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H26N4O2/c26-10-11-27-20-6-3-16(4-7-20)14-25-9-1-2-19(15-25)23-18-5-8-21-17(12-18)13-22-24-21/h3-8,12-13,19,23,26H,1-2,9-11,14-15H2,(H,22,24)
InChIKeyCIHPIJHUAGKONW-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-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 25008673

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol (CID 25009893) is 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol is OCCOc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is CIHPIJHUAGKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-10-11-27-20-6-3-16(4-7-20)14-25-9-1-2-19(15-25)23-18-5-8-21-17(12-18)13-22-24-21/h3-8,12-13,19,23,26H,1-2,9-11,14-15H2,(H,22,24).
What are the key properties of 2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[4-[[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-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 25009893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).