1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol

C20H22FN3O2 — CID 129454135

IUPAC1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
SMILESOC1(COc2ccc(F)cc2)CCN(Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-2-4-17(5-3-16)26-13-20(25)7-9-24(10-8-20)12-15-1-6-18-19(11-15)23-14-22-18/h1-6,11,14,25H,7-10,12-13H2,(H,22,23)
InChIKeyCWNVQFGSGALQMH-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.11
Rot. Bonds5

About 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol

1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol (PubChem CID 129454135) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
PubChem CID129454135
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
SMILESOC1(COc2ccc(F)cc2)CCN(Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-2-4-17(5-3-16)26-13-20(25)7-9-24(10-8-20)12-15-1-6-18-19(11-15)23-14-22-18/h1-6,11,14,25H,7-10,12-13H2,(H,22,23)
InChIKeyCWNVQFGSGALQMH-UHFFFAOYSA-N
XLogP3.11
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol
CID 129454948
6-[[4-[(3,4-dichlorophenoxy)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-benzimidazole
CID 129457203
1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
CID 129454035
[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate
CID 139674501
3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770541
4-(4-fluorophenyl)-1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-ol
CID 19863535
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol
CID 132773107
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
3H-benzimidazol-5-yl-[4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]methanone
CID 110098126

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
The IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol (CID 129454135) is 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol is OC1(COc2ccc(F)cc2)CCN(Cc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
The InChIKey is CWNVQFGSGALQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-2-4-17(5-3-16)26-13-20(25)7-9-24(10-8-20)12-15-1-6-18-19(11-15)23-14-22-18/h1-6,11,14,25H,7-10,12-13H2,(H,22,23).
What are the key properties of 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol has a molecular weight of 355.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 129454135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).