2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol

C21H29N3O — CID 95123757

IUPAC2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol
SMILESCC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1CCCN(CCO)C1
InChIInChI=1S/C21H29N3O/c1-17(2)13-20-21(19-8-4-3-5-9-19)22-16-24(20)15-18-7-6-10-23(14-18)11-12-25/h3-5,8-9,13,16,18,25H,6-7,10-12,14-15H2,1-2H3/t18-/m0/s1
InChIKeyBYSIVQNUQVTYLQ-SFHVURJKSA-N
MW339.48 g/mol
LogP3.68
Rot. Bonds6

About 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol

2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol (PubChem CID 95123757) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol
PubChem CID95123757
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol
SMILESCC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1CCCN(CCO)C1
InChIInChI=1S/C21H29N3O/c1-17(2)13-20-21(19-8-4-3-5-9-19)22-16-24(20)15-18-7-6-10-23(14-18)11-12-25/h3-5,8-9,13,16,18,25H,6-7,10-12,14-15H2,1-2H3/t18-/m0/s1
InChIKeyBYSIVQNUQVTYLQ-SFHVURJKSA-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

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Related Compounds

1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
CID 50960859
[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95132932
formic acid;3-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 154909364
(2S)-2-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]morpholine
CID 95123859
(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol
CID 95144428
(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 95119867
7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39796713
3-[3-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 107229032
3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 97283542
1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 138031162
3-[1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72923350
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol (CID 95123757) is 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol is CC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1CCCN(CCO)C1.
What is the InChIKey of 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
The InChIKey is BYSIVQNUQVTYLQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17(2)13-20-21(19-8-4-3-5-9-19)22-16-24(20)15-18-7-6-10-23(14-18)11-12-25/h3-5,8-9,13,16,18,25H,6-7,10-12,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol 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 2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95123757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).