3-(1-benzylpiperidin-4-yl)-1-ethylindazole

C21H25N3 — CID 67627191

IUPAC3-(1-benzylpiperidin-4-yl)-1-ethylindazole
SMILESCCn1nc(C2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H25N3/c1-2-24-20-11-7-6-10-19(20)21(22-24)18-12-14-23(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3
InChIKeyBRCFZRRNDAFSKF-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.44
Rot. Bonds4

About 3-(1-benzylpiperidin-4-yl)-1-ethylindazole

3-(1-benzylpiperidin-4-yl)-1-ethylindazole (PubChem CID 67627191) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-ethylindazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-ethylindazole
PubChem CID67627191
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-ethylindazole
SMILESCCn1nc(C2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H25N3/c1-2-24-20-11-7-6-10-19(20)21(22-24)18-12-14-23(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3
InChIKeyBRCFZRRNDAFSKF-UHFFFAOYSA-N
XLogP4.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
CID 14032592
3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
CID 91553600
3-[1-(2-chloroethyl)piperidin-4-yl]-1-methylindazole
CID 177255693
(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469
N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 22519498
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72868368
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
1-(1-benzylpiperidin-4-yl)-3-ethylindole
CID 135053599
phenyl-[3-[1-(2-phenylethyl)piperidin-4-yl]indazol-1-yl]methanone;hydrochloride
CID 14032620
3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5029409
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-ethylindazole?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-ethylindazole (CID 67627191) is 3-(1-benzylpiperidin-4-yl)-1-ethylindazole.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-ethylindazole?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-ethylindazole is CCn1nc(C2CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-ethylindazole?
The InChIKey is BRCFZRRNDAFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-2-24-20-11-7-6-10-19(20)21(22-24)18-12-14-23(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-ethylindazole?
3-(1-benzylpiperidin-4-yl)-1-ethylindazole has a molecular weight of 319.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-ethylindazole is sourced from PubChem (CID 67627191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).