1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine

C20H25N5O — CID 77086562

IUPAC1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESc1cn(CCOc2ccc(CN3CCC(c4ccn[nH]4)CC3)cc2)cn1
InChIInChI=1S/C20H25N5O/c1-3-19(26-14-13-25-12-9-21-16-25)4-2-17(1)15-24-10-6-18(7-11-24)20-5-8-22-23-20/h1-5,8-9,12,16,18H,6-7,10-11,13-15H2,(H,22,23)
InChIKeyVFHBOLLLATXBFP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.06
Rot. Bonds7

About 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine

1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 77086562) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID77086562
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESc1cn(CCOc2ccc(CN3CCC(c4ccn[nH]4)CC3)cc2)cn1
InChIInChI=1S/C20H25N5O/c1-3-19(26-14-13-25-12-9-21-16-25)4-2-17(1)15-24-10-6-18(7-11-24)20-5-8-22-23-20/h1-5,8-9,12,16,18H,6-7,10-11,13-15H2,(H,22,23)
InChIKeyVFHBOLLLATXBFP-UHFFFAOYSA-N
XLogP3.06
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814
5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
CID 124948771
4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
CID 77079143
(1S,5S)-3-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74237391
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 95817555
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
(2S)-1-[1-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]azetidin-3-yl]-2-methylpiperidine
CID 95714151
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine (CID 77086562) is 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine is c1cn(CCOc2ccc(CN3CCC(c4ccn[nH]4)CC3)cc2)cn1.
What is the InChIKey of 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is VFHBOLLLATXBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-19(26-14-13-25-12-9-21-16-25)4-2-17(1)15-24-10-6-18(7-11-24)20-5-8-22-23-20/h1-5,8-9,12,16,18H,6-7,10-11,13-15H2,(H,22,23).
What are the key properties of 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 351.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 77086562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).