1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol

C21H31N3O3 — CID 46992021

IUPAC1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESCCC(C)Oc1ccc(CN2CCC(O)(Cn3ccnc3)CC2)cc1OC
InChIInChI=1S/C21H31N3O3/c1-4-17(2)27-19-6-5-18(13-20(19)26-3)14-23-10-7-21(25,8-11-23)15-24-12-9-22-16-24/h5-6,9,12-13,16-17,25H,4,7-8,10-11,14-15H2,1-3H3
InChIKeyYQQKAWLNXYAWHE-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.10
Rot. Bonds8

About 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol

1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol (PubChem CID 46992021) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
PubChem CID46992021
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESCCC(C)Oc1ccc(CN2CCC(O)(Cn3ccnc3)CC2)cc1OC
InChIInChI=1S/C21H31N3O3/c1-4-17(2)27-19-6-5-18(13-20(19)26-3)14-23-10-7-21(25,8-11-23)15-24-12-9-22-16-24/h5-6,9,12-13,16-17,25H,4,7-8,10-11,14-15H2,1-3H3
InChIKeyYQQKAWLNXYAWHE-UHFFFAOYSA-N
XLogP3.10
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol with MolForge

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Related Compounds

4-[(2-fluorophenoxy)methyl]-1-[[4-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]azepan-4-ol
CID 132779942
1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965802
4-[(3,4-dichlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]methyl]azepan-4-ol
CID 132780746
4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
CID 74242460
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 74251154
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
(4R)-1-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]-4-methoxy-4-[(4-methylphenoxy)methyl]azepane
CID 129459919
8-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922090
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
4-[(3,4-dichlorophenoxy)methyl]-1-[[3-methoxy-4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]azepan-4-ol
CID 132780891

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol (CID 46992021) is 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol is CCC(C)Oc1ccc(CN2CCC(O)(Cn3ccnc3)CC2)cc1OC.
What is the InChIKey of 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is YQQKAWLNXYAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-17(2)27-19-6-5-18(13-20(19)26-3)14-23-10-7-21(25,8-11-23)15-24-12-9-22-16-24/h5-6,9,12-13,16-17,25H,4,7-8,10-11,14-15H2,1-3H3.
What are the key properties of 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 373.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 46992021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).