ethane;1-ethylpiperidine;1H-indazole

C16H27N3 — CID 177186365

IUPACethane;1-ethylpiperidine;1H-indazole
SMILESCC.CCN1CCCCC1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C7H15N.C2H6/c1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-4-3-5-7-8;1-2/h1-5H,(H,8,9);2-7H2,1H3;1-2H3
InChIKeyDZVBXSJBWTZAOC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds1

About ethane;1-ethylpiperidine;1H-indazole

ethane;1-ethylpiperidine;1H-indazole (PubChem CID 177186365) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;1-ethylpiperidine;1H-indazole.

Molecular Properties

Compound Nameethane;1-ethylpiperidine;1H-indazole
PubChem CID177186365
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Nameethane;1-ethylpiperidine;1H-indazole
SMILESCC.CCN1CCCCC1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C7H15N.C2H6/c1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-4-3-5-7-8;1-2/h1-5H,(H,8,9);2-7H2,1H3;1-2H3
InChIKeyDZVBXSJBWTZAOC-UHFFFAOYSA-N
XLogP4.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylpiperidine;1H-indazole?
The IUPAC name of ethane;1-ethylpiperidine;1H-indazole (CID 177186365) is ethane;1-ethylpiperidine;1H-indazole.
What is the SMILES notation for ethane;1-ethylpiperidine;1H-indazole?
The canonical SMILES for ethane;1-ethylpiperidine;1H-indazole is CC.CCN1CCCCC1.c1ccc2[nH]ncc2c1.
What is the InChIKey of ethane;1-ethylpiperidine;1H-indazole?
The InChIKey is DZVBXSJBWTZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H15N.C2H6/c1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-4-3-5-7-8;1-2/h1-5H,(H,8,9);2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-ethylpiperidine;1H-indazole?
ethane;1-ethylpiperidine;1H-indazole has a molecular weight of 261.41 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylpiperidine;1H-indazole is sourced from PubChem (CID 177186365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).