ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C18H31NO — CID 176678071

IUPACethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC.CC.CN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C14H19NO.2C2H6/c1-15-8-6-14(7-9-15)12-5-3-2-4-11(12)10-13(14)16;2*1-2/h2-5,13,16H,6-10H2,1H3;2*1-2H3
InChIKeyKJUVTJALUKLCMK-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.62
Rot. Bonds

About ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 176678071) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Nameethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID176678071
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Nameethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC.CC.CN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C14H19NO.2C2H6/c1-15-8-6-14(7-9-15)12-5-3-2-4-11(12)10-13(14)16;2*1-2/h2-5,13,16H,6-10H2,1H3;2*1-2H3
InChIKeyKJUVTJALUKLCMK-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 176678071) is ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CC.CC.CN1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is KJUVTJALUKLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.2C2H6/c1-15-8-6-14(7-9-15)12-5-3-2-4-11(12)10-13(14)16;2*1-2/h2-5,13,16H,6-10H2,1H3;2*1-2H3.
What are the key properties of ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 277.45 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 176678071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).