[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

C21H29N3O — CID 95132932

IUPAC[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESC/C=C(\C)c1c(-c2ccccc2)ncn1CCN1CCC[C@@H](CO)C1
InChIInChI=1S/C21H29N3O/c1-3-17(2)21-20(19-9-5-4-6-10-19)22-16-24(21)13-12-23-11-7-8-18(14-23)15-25/h3-6,9-10,16,18,25H,7-8,11-15H2,1-2H3/b17-3+/t18-/m1/s1
InChIKeyJWFYPQYVZIIAPU-KCNOKRAYSA-N
MW339.48 g/mol
LogP3.68
Rot. Bonds6

About [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol (PubChem CID 95132932) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
PubChem CID95132932
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESC/C=C(\C)c1c(-c2ccccc2)ncn1CCN1CCC[C@@H](CO)C1
InChIInChI=1S/C21H29N3O/c1-3-17(2)21-20(19-9-5-4-6-10-19)22-16-24(21)13-12-23-11-7-8-18(14-23)15-25/h3-6,9-10,16,18,25H,7-8,11-15H2,1-2H3/b17-3+/t18-/m1/s1
InChIKeyJWFYPQYVZIIAPU-KCNOKRAYSA-N
XLogP3.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 95123757
1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
CID 50960859
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111750060
[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 26406315
3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857163

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol (CID 95132932) is [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol is C/C=C(\C)c1c(-c2ccccc2)ncn1CCN1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The InChIKey is JWFYPQYVZIIAPU-KCNOKRAYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-3-17(2)21-20(19-9-5-4-6-10-19)22-16-24(21)13-12-23-11-7-8-18(14-23)15-25/h3-6,9-10,16,18,25H,7-8,11-15H2,1-2H3/b17-3+/t18-/m1/s1.
What are the key properties of [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol has a molecular weight of 339.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95132932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).