[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine

C21H26N4 — CID 59159018

IUPAC[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H26N4/c22-12-16-3-5-17(6-4-16)14-25-9-1-2-19(15-25)10-18-7-8-21-20(11-18)13-23-24-21/h3-8,11,13,19H,1-2,9-10,12,14-15,22H2,(H,23,24)/t19-/m1/s1
InChIKeyJEMWDCCPNFBZSH-LJQANCHMSA-N
MW334.47 g/mol
LogP3.48
Rot. Bonds5

About [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine

[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine (PubChem CID 59159018) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
PubChem CID59159018
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H26N4/c22-12-16-3-5-17(6-4-16)14-25-9-1-2-19(15-25)10-18-7-8-21-20(11-18)13-23-24-21/h3-8,11,13,19H,1-2,9-10,12,14-15,22H2,(H,23,24)/t19-/m1/s1
InChIKeyJEMWDCCPNFBZSH-LJQANCHMSA-N
XLogP3.48
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine with MolForge

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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-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158
5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159006
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
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 59159114
(2R)-3-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]propane-1,2-diol
CID 59159044
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232
5-[[(3R)-1-[[4-methyl-3-(propylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 147498042

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine (CID 59159018) is [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine is NCc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine?
The InChIKey is JEMWDCCPNFBZSH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4/c22-12-16-3-5-17(6-4-16)14-25-9-1-2-19(15-25)10-18-7-8-21-20(11-18)13-23-24-21/h3-8,11,13,19H,1-2,9-10,12,14-15,22H2,(H,23,24)/t19-/m1/s1.
What are the key properties of [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine?
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine has a molecular weight of 334.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 59159018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).