5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole

C20H21F2N3 — CID 59159138

IUPAC5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
SMILESFc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1F
InChIInChI=1S/C20H21F2N3/c21-18-5-3-16(10-19(18)22)13-25-7-1-2-15(12-25)8-14-4-6-20-17(9-14)11-23-24-20/h3-6,9-11,15H,1-2,7-8,12-13H2,(H,23,24)/t15-/m1/s1
InChIKeyPYRLAXGCKDALJK-OAHLLOKOSA-N
MW341.41 g/mol
LogP4.30
Rot. Bonds4

About 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole

5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole (PubChem CID 59159138) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
PubChem CID59159138
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
SMILESFc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1F
InChIInChI=1S/C20H21F2N3/c21-18-5-3-16(10-19(18)22)13-25-7-1-2-15(12-25)8-14-4-6-20-17(9-14)11-23-24-20/h3-6,9-11,15H,1-2,7-8,12-13H2,(H,23,24)/t15-/m1/s1
InChIKeyPYRLAXGCKDALJK-OAHLLOKOSA-N
XLogP4.30
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159006
5-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 59159114
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 59159183
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110
(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
N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
CID 59159156

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The IUPAC name of 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole (CID 59159138) is 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The canonical SMILES for 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole is Fc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1F.
What is the InChIKey of 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The InChIKey is PYRLAXGCKDALJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21F2N3/c21-18-5-3-16(10-19(18)22)13-25-7-1-2-15(12-25)8-14-4-6-20-17(9-14)11-23-24-20/h3-6,9-11,15H,1-2,7-8,12-13H2,(H,23,24)/t15-/m1/s1.
What are the key properties of 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole has a molecular weight of 341.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 59159138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).