3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol

C19H27N3O4 — CID 70739274

IUPAC3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol
SMILESCOc1cccc(CN2CCCC(O)(CO)C2)c1OCCn1ccnc1
InChIInChI=1S/C19H27N3O4/c1-25-17-5-2-4-16(12-22-8-3-6-19(24,13-22)14-23)18(17)26-11-10-21-9-7-20-15-21/h2,4-5,7,9,15,23-24H,3,6,8,10-14H2,1H3
InChIKeyHTDFNNIADZLAIT-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.29
Rot. Bonds8

About 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol

3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol (PubChem CID 70739274) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol
PubChem CID70739274
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol
SMILESCOc1cccc(CN2CCCC(O)(CO)C2)c1OCCn1ccnc1
InChIInChI=1S/C19H27N3O4/c1-25-17-5-2-4-16(12-22-8-3-6-19(24,13-22)14-23)18(17)26-11-10-21-9-7-20-15-21/h2,4-5,7,9,15,23-24H,3,6,8,10-14H2,1H3
InChIKeyHTDFNNIADZLAIT-UHFFFAOYSA-N
XLogP1.29
TPSA79.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol with MolForge

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Related Compounds

9-[[2-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135114118
(3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95891655
4-[(2-fluorophenoxy)methyl]-1-[[4-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]azepan-4-ol
CID 132779942
(4R)-4-(hydroxymethyl)-1-[3-(2-methoxyphenoxy)propyl]azepan-4-ol
CID 95707159
4-[(3,4-dichlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]methyl]azepan-4-ol
CID 132780746
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
4-[(2-fluorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]azepan-4-ol
CID 132772516
1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132766922
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 54848998
formic acid;(1S,8R)-9-[[2-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155938192
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol (CID 70739274) is 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol is COc1cccc(CN2CCCC(O)(CO)C2)c1OCCn1ccnc1.
What is the InChIKey of 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol?
The InChIKey is HTDFNNIADZLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-17-5-2-4-16(12-22-8-3-6-19(24,13-22)14-23)18(17)26-11-10-21-9-7-20-15-21/h2,4-5,7,9,15,23-24H,3,6,8,10-14H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol?
3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol has a molecular weight of 361.44 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 70739274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).