1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

C19H27NO — CID 11529337

IUPAC1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC21CCN(CC2CCOCC2)CC1
InChIInChI=1S/C19H27NO/c1-2-4-18-17(3-1)5-8-19(18)9-11-20(12-10-19)15-16-6-13-21-14-7-16/h1-4,16H,5-15H2
InChIKeyPBVSZGGHONNMAI-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.39
Rot. Bonds2

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

1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 11529337) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID11529337
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC21CCN(CC2CCOCC2)CC1
InChIInChI=1S/C19H27NO/c1-2-4-18-17(3-1)5-8-19(18)9-11-20(12-10-19)15-16-6-13-21-14-7-16/h1-4,16H,5-15H2
InChIKeyPBVSZGGHONNMAI-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Indan-1-yl-propyl)-3,3-dimethyl-piperidine
CID 10638473
1-[4-(2,3-dihydro-1H-inden-1-yl)butyl]-3,3-dimethylpiperidine
CID 11778704
1'-(Cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54582815
1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54586713
2-(2,3-dihydro-1H-inden-1-yl)-N,N,2-trimethylpentan-1-amine;ethane;methoxymethane
CID 178102720
4-(2,2-Dimethylindane-1-ylidene)-1-methyl-piperidine
CID 214822
1'-(Cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 15163160
1'-Hexylspiro[indane-1,4'-piperidine]
CID 15163161
1'-n-Butylspiro[indane-1,4'-piperidine]
CID 15163162
1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 15163164
(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine
CID 141046163
1'-(3-Phenylpropyl)-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 129886098

Frequently Asked Questions

What is the IUPAC name of 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 11529337) is 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is c1ccc2c(c1)CCC21CCN(CC2CCOCC2)CC1.
What is the InChIKey of 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is PBVSZGGHONNMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-4-18-17(3-1)5-8-19(18)9-11-20(12-10-19)15-16-6-13-21-14-7-16/h1-4,16H,5-15H2.
What are the key properties of 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 285.43 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 11529337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).