propane;spiro[1,2-dihydroindene-3,4'-piperidine]

C16H25N — CID 91126362

IUPACpropane;spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCC.c1ccc2c(c1)CCC21CCNCC1
InChIInChI=1S/C13H17N.C3H8/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;1-3-2/h1-4,14H,5-10H2;3H2,1-2H3
InChIKeyVTIZBEQLWOTNHP-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.67
Rot. Bonds

About propane;spiro[1,2-dihydroindene-3,4'-piperidine]

propane;spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 91126362) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is propane;spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Namepropane;spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID91126362
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Namepropane;spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCC.c1ccc2c(c1)CCC21CCNCC1
InChIInChI=1S/C13H17N.C3H8/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;1-3-2/h1-4,14H,5-10H2;3H2,1-2H3
InChIKeyVTIZBEQLWOTNHP-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-azaspiro[4.5]decane;8-azaspiro[4.5]decane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;2-azaspiro[5.5]undecane;3-azaspiro[5.5]undecane;propane;spiro[1,2-dihydroindene-3,4'-piperidine];bis(spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine])
CID 162091148
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
1-[(4aR,10bR)-4a-methyl-1,2,3,4,5,6-hexahydrobenzo[f]isoquinolin-10b-yl]propan-1-one
CID 10377780
1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 163880046
spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10420425

Frequently Asked Questions

What is the IUPAC name of propane;spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of propane;spiro[1,2-dihydroindene-3,4'-piperidine] (CID 91126362) is propane;spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for propane;spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for propane;spiro[1,2-dihydroindene-3,4'-piperidine] is CCC.c1ccc2c(c1)CCC21CCNCC1.
What is the InChIKey of propane;spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is VTIZBEQLWOTNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C3H8/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;1-3-2/h1-4,14H,5-10H2;3H2,1-2H3.
What are the key properties of propane;spiro[1,2-dihydroindene-3,4'-piperidine]?
propane;spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 231.38 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 91126362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).