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

C20H22ClN3 — CID 59159015

IUPAC5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
SMILESClc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H22ClN3/c21-19-6-3-15(4-7-19)13-24-9-1-2-17(14-24)10-16-5-8-20-18(11-16)12-22-23-20/h3-8,11-12,17H,1-2,9-10,13-14H2,(H,22,23)/t17-/m1/s1
InChIKeyCDEPQRNHNKZDNP-QGZVFWFLSA-N
MW339.87 g/mol
LogP4.67
Rot. Bonds4

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

5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole (PubChem CID 59159015) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
PubChem CID59159015
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
SMILESClc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H22ClN3/c21-19-6-3-15(4-7-19)13-24-9-1-2-17(14-24)10-16-5-8-20-18(11-16)12-22-23-20/h3-8,11-12,17H,1-2,9-10,13-14H2,(H,22,23)/t17-/m1/s1
InChIKeyCDEPQRNHNKZDNP-QGZVFWFLSA-N
XLogP4.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
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
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
CID 162336125
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
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The IUPAC name of 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole (CID 59159015) is 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The canonical SMILES for 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole is Clc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
The InChIKey is CDEPQRNHNKZDNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN3/c21-19-6-3-15(4-7-19)13-24-9-1-2-17(14-24)10-16-5-8-20-18(11-16)12-22-23-20/h3-8,11-12,17H,1-2,9-10,13-14H2,(H,22,23)/t17-/m1/s1.
What are the key properties of 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole?
5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole has a molecular weight of 339.87 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 59159015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).