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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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).