1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine

C22H27NO2 — CID 134242961

IUPAC1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine
SMILESCOc1ccc2c(c1)C(CN1CCC(Oc3ccccc3)CC1)CC2
InChIInChI=1S/C22H27NO2/c1-24-21-10-9-17-7-8-18(22(17)15-21)16-23-13-11-20(12-14-23)25-19-5-3-2-4-6-19/h2-6,9-10,15,18,20H,7-8,11-14,16H2,1H3
InChIKeyTZGFNJQUVUGPSS-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.27
Rot. Bonds5

About 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine

1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine (PubChem CID 134242961) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine.

Molecular Properties

Compound Name1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine
PubChem CID134242961
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine
SMILESCOc1ccc2c(c1)C(CN1CCC(Oc3ccccc3)CC1)CC2
InChIInChI=1S/C22H27NO2/c1-24-21-10-9-17-7-8-18(22(17)15-21)16-23-13-11-20(12-14-23)25-19-5-3-2-4-6-19/h2-6,9-10,15,18,20H,7-8,11-14,16H2,1H3
InChIKeyTZGFNJQUVUGPSS-UHFFFAOYSA-N
XLogP4.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
CID 138696282
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23044238
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(4-fluorophenoxy)azepane;hydrochloride
CID 134231651
(1S,4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane
CID 138696682
methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen
CID 142283490
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 25019321
ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
CID 159114747
4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 54688846
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
CID 11451970

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine?
The IUPAC name of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine (CID 134242961) is 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine.
What is the SMILES notation for 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine?
The canonical SMILES for 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine is COc1ccc2c(c1)C(CN1CCC(Oc3ccccc3)CC1)CC2.
What is the InChIKey of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine?
The InChIKey is TZGFNJQUVUGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-24-21-10-9-17-7-8-18(22(17)15-21)16-23-13-11-20(12-14-23)25-19-5-3-2-4-6-19/h2-6,9-10,15,18,20H,7-8,11-14,16H2,1H3.
What are the key properties of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine?
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine has a molecular weight of 337.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine is sourced from PubChem (CID 134242961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).