1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol

C17H23N3O2 — CID 60523622

IUPAC1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
SMILESCn1ccnc1COc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-19-11-8-18-17(19)13-22-16-4-2-14(3-5-16)12-20-9-6-15(21)7-10-20/h2-5,8,11,15,21H,6-7,9-10,12-13H2,1H3
InChIKeyFRXBFQNRFSWXOG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.96
Rot. Bonds5

About 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol

1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol (PubChem CID 60523622) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
PubChem CID60523622
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
SMILESCn1ccnc1COc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-19-11-8-18-17(19)13-22-16-4-2-14(3-5-16)12-20-9-6-15(21)7-10-20/h2-5,8,11,15,21H,6-7,9-10,12-13H2,1H3
InChIKeyFRXBFQNRFSWXOG-UHFFFAOYSA-N
XLogP1.96
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
CID 86998725
cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol
CID 71771141
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 112843998
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
4-benzyl-3-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 60524423
6-[(4-chlorophenoxy)methyl]-4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-oxazepan-6-ol
CID 132779656
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol (CID 60523622) is 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol is Cn1ccnc1COc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol?
The InChIKey is FRXBFQNRFSWXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-11-8-18-17(19)13-22-16-4-2-14(3-5-16)12-20-9-6-15(21)7-10-20/h2-5,8,11,15,21H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol?
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol has a molecular weight of 301.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 60523622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).