3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole

C21H31N3 — CID 22914826

IUPAC3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole
SMILESc1ccc2c(CN3CCC(CCC4CCCCC4)CC3)[nH]nc2c1
InChIInChI=1S/C21H31N3/c1-2-6-17(7-3-1)10-11-18-12-14-24(15-13-18)16-21-19-8-4-5-9-20(19)22-23-21/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H,22,23)
InChIKeyDDESYPWZWGGCRE-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.14
Rot. Bonds5

About 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole

3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole (PubChem CID 22914826) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole
PubChem CID22914826
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole
SMILESc1ccc2c(CN3CCC(CCC4CCCCC4)CC3)[nH]nc2c1
InChIInChI=1S/C21H31N3/c1-2-6-17(7-3-1)10-11-18-12-14-24(15-13-18)16-21-19-8-4-5-9-20(19)22-23-21/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H,22,23)
InChIKeyDDESYPWZWGGCRE-UHFFFAOYSA-N
XLogP5.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole?
The IUPAC name of 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole (CID 22914826) is 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole.
What is the SMILES notation for 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole?
The canonical SMILES for 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole is c1ccc2c(CN3CCC(CCC4CCCCC4)CC3)[nH]nc2c1.
What is the InChIKey of 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole?
The InChIKey is DDESYPWZWGGCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-2-6-17(7-3-1)10-11-18-12-14-24(15-13-18)16-21-19-8-4-5-9-20(19)22-23-21/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H,22,23).
What are the key properties of 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole?
3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole has a molecular weight of 325.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole is sourced from PubChem (CID 22914826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).