3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol

C19H27N3O — CID 56916448

IUPAC3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
SMILESCC(C)n1ccnc1-c1cc(O)cc(CCC2CCCCN2)c1
InChIInChI=1S/C19H27N3O/c1-14(2)22-10-9-21-19(22)16-11-15(12-18(23)13-16)6-7-17-5-3-4-8-20-17/h9-14,17,20,23H,3-8H2,1-2H3
InChIKeyABDDMIPHCWBUNY-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.91
Rot. Bonds5

About 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol

3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol (PubChem CID 56916448) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
PubChem CID56916448
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
SMILESCC(C)n1ccnc1-c1cc(O)cc(CCC2CCCCN2)c1
InChIInChI=1S/C19H27N3O/c1-14(2)22-10-9-21-19(22)16-11-15(12-18(23)13-16)6-7-17-5-3-4-8-20-17/h9-14,17,20,23H,3-8H2,1-2H3
InChIKeyABDDMIPHCWBUNY-UHFFFAOYSA-N
XLogP3.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
3-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95708911
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95722396
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033626
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol?
The IUPAC name of 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol (CID 56916448) is 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol is CC(C)n1ccnc1-c1cc(O)cc(CCC2CCCCN2)c1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol?
The InChIKey is ABDDMIPHCWBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)22-10-9-21-19(22)16-11-15(12-18(23)13-16)6-7-17-5-3-4-8-20-17/h9-14,17,20,23H,3-8H2,1-2H3.
What are the key properties of 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol?
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol has a molecular weight of 313.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol is sourced from PubChem (CID 56916448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).