1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine

C19H29NO — CID 142283404

IUPAC1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine
SMILESCCOC1(CC)CCN(CC2CCc3ccccc32)CC1
InChIInChI=1S/C19H29NO/c1-3-19(21-4-2)11-13-20(14-12-19)15-17-10-9-16-7-5-6-8-18(16)17/h5-8,17H,3-4,9-15H2,1-2H3
InChIKeyITLXGYSZXUPVFA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.00
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine

1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine (PubChem CID 142283404) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine
PubChem CID142283404
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine
SMILESCCOC1(CC)CCN(CC2CCc3ccccc32)CC1
InChIInChI=1S/C19H29NO/c1-3-19(21-4-2)11-13-20(14-12-19)15-17-10-9-16-7-5-6-8-18(16)17/h5-8,17H,3-4,9-15H2,1-2H3
InChIKeyITLXGYSZXUPVFA-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.00
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
2-Butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride
CID 45260523
1-Methyl-4-(1-phenyl-2,3-dihydro-1H-inden-2-yl)piperidine
CID 210016
1-Methyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperidine
CID 206274
(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70712610
4-(2,3-dihydro-1H-inden-2-yl)morpholine
CID 783780
1-(9-Fluorenylmethyl)piperidine
CID 12841689
2,3-Dihydro-1'-[2-(ethoxycarbonyl)ethyl]spiro[1H-indene-1,4'-piperidine]
CID 22509377
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
2-Butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
CID 10176973

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine (CID 142283404) is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine is CCOC1(CC)CCN(CC2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine?
The InChIKey is ITLXGYSZXUPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-19(21-4-2)11-13-20(14-12-19)15-17-10-9-16-7-5-6-8-18(16)17/h5-8,17H,3-4,9-15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine?
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine has a molecular weight of 287.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-ethoxy-4-ethylpiperidine is sourced from PubChem (CID 142283404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).