2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol

C23H29N3O2 — CID 59159114

IUPAC2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
SMILESCc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1OCCO
InChIInChI=1S/C23H29N3O2/c1-17-4-5-20(13-23(17)28-10-9-27)16-26-8-2-3-19(15-26)11-18-6-7-22-21(12-18)14-24-25-22/h4-7,12-14,19,27H,2-3,8-11,15-16H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyWCWHSCQNYFXGFN-LJQANCHMSA-N
MW379.50 g/mol
LogP3.70
Rot. Bonds7

About 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol

2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol (PubChem CID 59159114) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
PubChem CID59159114
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
SMILESCc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1OCCO
InChIInChI=1S/C23H29N3O2/c1-17-4-5-20(13-23(17)28-10-9-27)16-26-8-2-3-19(15-26)11-18-6-7-22-21(12-18)14-24-25-22/h4-7,12-14,19,27H,2-3,8-11,15-16H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyWCWHSCQNYFXGFN-LJQANCHMSA-N
XLogP3.70
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
5-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
CID 59159156
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158
(2R)-3-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]propane-1,2-diol
CID 59159044
5-[[(3R)-1-[[4-methyl-3-(propylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 147498042
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 59159183
5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159006

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
The IUPAC name of 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol (CID 59159114) is 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol.
What is the SMILES notation for 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
The canonical SMILES for 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol is Cc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1OCCO.
What is the InChIKey of 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
The InChIKey is WCWHSCQNYFXGFN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-4-5-20(13-23(17)28-10-9-27)16-26-8-2-3-19(15-26)11-18-6-7-22-21(12-18)14-24-25-22/h4-7,12-14,19,27H,2-3,8-11,15-16H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol has a molecular weight of 379.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol is sourced from PubChem (CID 59159114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).