3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol

C19H27N3O2 — CID 132776861

IUPAC3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
SMILESCCCn1ccnc1CN1CCCC(O)(COc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-2-11-22-13-10-20-18(22)14-21-12-6-9-19(23,15-21)16-24-17-7-4-3-5-8-17/h3-5,7-8,10,13,23H,2,6,9,11-12,14-16H2,1H3
InChIKeyXBKUKJKNMDJDAV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.70
Rot. Bonds7

About 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol

3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol (PubChem CID 132776861) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
PubChem CID132776861
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
SMILESCCCn1ccnc1CN1CCCC(O)(COc2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-2-11-22-13-10-20-18(22)14-21-12-6-9-19(23,15-21)16-24-17-7-4-3-5-8-17/h3-5,7-8,10,13,23H,2,6,9,11-12,14-16H2,1H3
InChIKeyXBKUKJKNMDJDAV-UHFFFAOYSA-N
XLogP2.70
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenoxymethyl)-1-[[4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]piperidin-3-ol
CID 132772135
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-[3-[4-[[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]methyl]phenoxy]propyl]-5-methylpyridin-2-one
CID 132767606
3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
CID 155990623
1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
CID 132766921
ethyl (3S)-3-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carboxylate
CID 26411319
4-(phenoxymethyl)-1-(3-phenylpropyl)azepan-4-ol
CID 155990791
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
CID 129454035
1-[[4-[3-(2-methylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132767617

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol (CID 132776861) is 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol is CCCn1ccnc1CN1CCCC(O)(COc2ccccc2)C1.
What is the InChIKey of 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is XBKUKJKNMDJDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-11-22-13-10-20-18(22)14-21-12-6-9-19(23,15-21)16-24-17-7-4-3-5-8-17/h3-5,7-8,10,13,23H,2,6,9,11-12,14-16H2,1H3.
What are the key properties of 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol?
3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 329.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 132776861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).