1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol

C23H32N2O2 — CID 134108065

IUPAC1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol
SMILESCC#CCOc1ccc2c(c1)c(CN1CCC(O)CC1)cn2CCC(C)C
InChIInChI=1S/C23H32N2O2/c1-4-5-14-27-21-6-7-23-22(15-21)19(17-25(23)13-8-18(2)3)16-24-11-9-20(26)10-12-24/h6-7,15,17-18,20,26H,8-14,16H2,1-3H3
InChIKeyUSEGUNOJPBMOHB-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.05
Rot. Bonds7

About 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol

1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol (PubChem CID 134108065) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol
PubChem CID134108065
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol
SMILESCC#CCOc1ccc2c(c1)c(CN1CCC(O)CC1)cn2CCC(C)C
InChIInChI=1S/C23H32N2O2/c1-4-5-14-27-21-6-7-23-22(15-21)19(17-25(23)13-8-18(2)3)16-24-11-9-20(26)10-12-24/h6-7,15,17-18,20,26H,8-14,16H2,1-3H3
InChIKeyUSEGUNOJPBMOHB-UHFFFAOYSA-N
XLogP4.05
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[5-but-2-ynoxy-1-(2-cyclohexylethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108071
1-[[5-cyclopentyloxy-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108061
1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108064
1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol
CID 134108056
1-[[1-[(5-chlorothiophen-2-yl)methyl]-5-[2-(4-methoxyphenyl)ethoxy]indol-3-yl]methyl]piperidin-4-ol
CID 134107829
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910139
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
4-[3-(5-ethoxy-1-propylindol-3-yl)propyl]morpholine
CID 170871037

Frequently Asked Questions

What is the IUPAC name of 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol (CID 134108065) is 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol is CC#CCOc1ccc2c(c1)c(CN1CCC(O)CC1)cn2CCC(C)C.
What is the InChIKey of 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol?
The InChIKey is USEGUNOJPBMOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-5-14-27-21-6-7-23-22(15-21)19(17-25(23)13-8-18(2)3)16-24-11-9-20(26)10-12-24/h6-7,15,17-18,20,26H,8-14,16H2,1-3H3.
What are the key properties of 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol?
1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol has a molecular weight of 368.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 134108065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).