1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

C18H26ClNO — CID 54586713

IUPAC1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H25NO.ClH/c1-2-6-17-15(4-1)7-8-18(17)9-11-19(12-10-18)14-16-5-3-13-20-16;/h1-2,4,6,16H,3,5,7-14H2;1H
InChIKeyRVIFPJQMINLDME-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.57
Rot. Bonds2

About 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 54586713) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID54586713
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H25NO.ClH/c1-2-6-17-15(4-1)7-8-18(17)9-11-19(12-10-18)14-16-5-3-13-20-16;/h1-2,4,6,16H,3,5,7-14H2;1H
InChIKeyRVIFPJQMINLDME-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586690
1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 15163154
1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 15163164
4-[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]morpholine
CID 134969001
1'-(Oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 11529337
9-(3-Morpholin-4-ylpropyl)fluorene-9-carbonitrile;hydrochloride
CID 12923575
4-[3-(3H-inden-1-yl)propyl]morpholine
CID 19095513
4-[3-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine;hydrochloride
CID 20519943
2-[(9,10-Methanoanthracen-9(10H)-yl)methyl]-4-methylmorpholine
CID 21415001
4-Prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
CID 21415002
4-Ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
CID 21415013
4-Ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
CID 21415014

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 54586713) is 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is Cl.c1ccc2c(c1)CCC21CCN(CC2CCCO2)CC1.
What is the InChIKey of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is RVIFPJQMINLDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO.ClH/c1-2-6-17-15(4-1)7-8-18(17)9-11-19(12-10-18)14-16-5-3-13-20-16;/h1-2,4,6,16H,3,5,7-14H2;1H.
What are the key properties of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 307.87 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 54586713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).