1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine

C23H29NO — CID 3038045

IUPAC1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine
SMILESc1ccc(C[C@@H]2Cc3ccccc3[C@H]2OCCN2CCCCC2)cc1
InChIInChI=1S/C23H29NO/c1-3-9-19(10-4-1)17-21-18-20-11-5-6-12-22(20)23(21)25-16-15-24-13-7-2-8-14-24/h1,3-6,9-12,21,23H,2,7-8,13-18H2/t21-,23+/m1/s1
InChIKeyLIOJMBTYDKOJGF-GGAORHGYSA-N
MW335.49 g/mol
LogP4.65
Rot. Bonds6

About 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine

1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine (PubChem CID 3038045) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine
PubChem CID3038045
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine
SMILESc1ccc(C[C@@H]2Cc3ccccc3[C@H]2OCCN2CCCCC2)cc1
InChIInChI=1S/C23H29NO/c1-3-9-19(10-4-1)17-21-18-20-11-5-6-12-22(20)23(21)25-16-15-24-13-7-2-8-14-24/h1,3-6,9-12,21,23H,2,7-8,13-18H2/t21-,23+/m1/s1
InChIKeyLIOJMBTYDKOJGF-GGAORHGYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine with MolForge

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Related Compounds

Hepzidine
CID 70593
1''-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10019485
1''-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10041768
1''-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10245905
1''-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10315820
1''-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10359602
1''-(2-phenylpropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10380513
Perastine
CID 411828
1'-(cyclohexylmethyl)-1-(3-fluoropropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 45483149
1'-(cyclohexylmethyl)-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 53316463
1''-(2-phenylethyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10379651
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-cyclopentanol
CID 18740038

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine?
The IUPAC name of 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine (CID 3038045) is 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine is c1ccc(C[C@@H]2Cc3ccccc3[C@H]2OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine?
The InChIKey is LIOJMBTYDKOJGF-GGAORHGYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-9-19(10-4-1)17-21-18-20-11-5-6-12-22(20)23(21)25-16-15-24-13-7-2-8-14-24/h1,3-6,9-12,21,23H,2,7-8,13-18H2/t21-,23+/m1/s1.
What are the key properties of 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine?
1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine has a molecular weight of 335.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine is sourced from PubChem (CID 3038045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).