acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole

C15H21N3O2 — CID 18365337

IUPACacetic acid;4-methyl-3-piperidin-4-yl-2H-indazole
SMILESCC(=O)O.Cc1cccc2n[nH]c(C3CCNCC3)c12
InChIInChI=1S/C13H17N3.C2H4O2/c1-9-3-2-4-11-12(9)13(16-15-11)10-5-7-14-8-6-10;1-2(3)4/h2-4,10,14H,5-8H2,1H3,(H,15,16);1H3,(H,3,4)
InChIKeySOZMKMXMYOVVTM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.43
Rot. Bonds1

About acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole

acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole (PubChem CID 18365337) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole.

Molecular Properties

Compound Nameacetic acid;4-methyl-3-piperidin-4-yl-2H-indazole
PubChem CID18365337
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameacetic acid;4-methyl-3-piperidin-4-yl-2H-indazole
SMILESCC(=O)O.Cc1cccc2n[nH]c(C3CCNCC3)c12
InChIInChI=1S/C13H17N3.C2H4O2/c1-9-3-2-4-11-12(9)13(16-15-11)10-5-7-14-8-6-10;1-2(3)4/h2-4,10,14H,5-8H2,1H3,(H,15,16);1H3,(H,3,4)
InChIKeySOZMKMXMYOVVTM-UHFFFAOYSA-N
XLogP2.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole?
The IUPAC name of acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole (CID 18365337) is acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole.
What is the SMILES notation for acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole?
The canonical SMILES for acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole is CC(=O)O.Cc1cccc2n[nH]c(C3CCNCC3)c12.
What is the InChIKey of acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole?
The InChIKey is SOZMKMXMYOVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C2H4O2/c1-9-3-2-4-11-12(9)13(16-15-11)10-5-7-14-8-6-10;1-2(3)4/h2-4,10,14H,5-8H2,1H3,(H,15,16);1H3,(H,3,4).
What are the key properties of acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole?
acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole has a molecular weight of 275.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-methyl-3-piperidin-4-yl-2H-indazole is sourced from PubChem (CID 18365337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).