[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

C22H33N3O — CID 25274405

IUPAC[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCCCCc1ncc(CN2CCC[C@](CO)(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C22H33N3O/c1-2-3-10-21-23-15-20(24-21)16-25-14-7-12-22(17-25,18-26)13-11-19-8-5-4-6-9-19/h4-6,8-9,15,26H,2-3,7,10-14,16-18H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyTYZPMIFSLCJSDS-QFIPXVFZSA-N
MW355.53 g/mol
LogP3.96
Rot. Bonds9

About [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 25274405) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID25274405
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCCCCc1ncc(CN2CCC[C@](CO)(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C22H33N3O/c1-2-3-10-21-23-15-20(24-21)16-25-14-7-12-22(17-25,18-26)13-11-19-8-5-4-6-9-19/h4-6,8-9,15,26H,2-3,7,10-14,16-18H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyTYZPMIFSLCJSDS-QFIPXVFZSA-N
XLogP3.96
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 56705169
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
CID 45228125
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449
(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165427310
[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25449478
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
4-[4-[[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45175998

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 25274405) is [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is CCCCc1ncc(CN2CCC[C@](CO)(CCc3ccccc3)C2)[nH]1.
What is the InChIKey of [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is TYZPMIFSLCJSDS-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H33N3O/c1-2-3-10-21-23-15-20(24-21)16-25-14-7-12-22(17-25,18-26)13-11-19-8-5-4-6-9-19/h4-6,8-9,15,26H,2-3,7,10-14,16-18H2,1H3,(H,23,24)/t22-/m0/s1.
What are the key properties of [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 355.53 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25274405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).