1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol

C24H31NO2 — CID 138616878

IUPAC1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol
SMILESCc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2c1CCC2
InChIInChI=1S/C24H31NO2/c1-18-21(23-10-3-7-19-6-2-9-22(19)23)8-4-11-24(18)27-17-5-14-25-15-12-20(26)13-16-25/h3-4,7-8,10-11,20,26H,2,5-6,9,12-17H2,1H3
InChIKeyYGLCPBHKORDLMZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.38
Rot. Bonds6

About 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol

1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol (PubChem CID 138616878) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol
PubChem CID138616878
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol
SMILESCc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2c1CCC2
InChIInChI=1S/C24H31NO2/c1-18-21(23-10-3-7-19-6-2-9-22(19)23)8-4-11-24(18)27-17-5-14-25-15-12-20(26)13-16-25/h3-4,7-8,10-11,20,26H,2,5-6,9,12-17H2,1H3
InChIKeyYGLCPBHKORDLMZ-UHFFFAOYSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenoxy]propyl]piperidin-4-ol
CID 138616635
1-[3-[2-methyl-3-[2-methyl-3-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134282493
(3R)-1-[3-[3-[3-[3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282554
1-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperidin-4-ol
CID 3030742
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134317956
1-methyl-N-[3-[2-methyl-3-[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidin-4-amine
CID 142298746
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
2-[3-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid
CID 175061428
1-[3-[3-[(1S)-1-[2-chloro-4-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]-5-[3-[(3S)-3-hydroxypyrrolidin-1-yl]propoxy]phenoxy]-2,3-dihydro-1H-inden-4-yl]-2-methylphenoxy]propyl]piperidin-4-ol
CID 138616686
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone
CID 67697281

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol (CID 138616878) is 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol is Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2c1CCC2.
What is the InChIKey of 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol?
The InChIKey is YGLCPBHKORDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18-21(23-10-3-7-19-6-2-9-22(19)23)8-4-11-24(18)27-17-5-14-25-15-12-20(26)13-16-25/h3-4,7-8,10-11,20,26H,2,5-6,9,12-17H2,1H3.
What are the key properties of 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol?
1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol has a molecular weight of 365.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 138616878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).