5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride

C19H21Cl2N3O — CID 162336125

IUPAC5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
SMILESCl.Clc1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H20ClN3O.ClH/c20-16-5-3-14(4-6-16)12-23-9-1-2-18(13-23)24-17-7-8-19-15(10-17)11-21-22-19;/h3-8,10-11,18H,1-2,9,12-13H2,(H,21,22);1H
InChIKeyGMYQLDRNXKRUMT-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.68
Rot. Bonds4

About 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride

5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride (PubChem CID 162336125) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
PubChem CID162336125
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
SMILESCl.Clc1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H20ClN3O.ClH/c20-16-5-3-14(4-6-16)12-23-9-1-2-18(13-23)24-17-7-8-19-15(10-17)11-21-22-19;/h3-8,10-11,18H,1-2,9,12-13H2,(H,21,22);1H
InChIKeyGMYQLDRNXKRUMT-UHFFFAOYSA-N
XLogP4.68
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
CID 159168642
5-(1-propylpiperidin-3-yl)oxy-1H-indazole
CID 18447202
5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
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
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893
5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole
CID 18447181
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
CID 11705277

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride (CID 162336125) is 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride is Cl.Clc1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride?
The InChIKey is GMYQLDRNXKRUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O.ClH/c20-16-5-3-14(4-6-16)12-23-9-1-2-18(13-23)24-17-7-8-19-15(10-17)11-21-22-19;/h3-8,10-11,18H,1-2,9,12-13H2,(H,21,22);1H.
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride?
5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride has a molecular weight of 378.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride is sourced from PubChem (CID 162336125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).