(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol

C23H35N3O3S — CID 42517632

IUPAC(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
SMILESCC[C@@H](O)C1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1
InChIInChI=1S/C23H35N3O3S/c1-4-22(27)20-11-13-25(14-12-20)17-21-16-24-23(30(28,29)18(2)3)26(21)15-10-19-8-6-5-7-9-19/h5-9,16,18,20,22,27H,4,10-15,17H2,1-3H3/t22-/m1/s1
InChIKeyRLPSMNCSVFEQDJ-JOCHJYFZSA-N
MW433.62 g/mol
LogP3.29
Rot. Bonds9

About (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol

(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol (PubChem CID 42517632) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
PubChem CID42517632
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
SMILESCC[C@@H](O)C1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1
InChIInChI=1S/C23H35N3O3S/c1-4-22(27)20-11-13-25(14-12-20)17-21-16-24-23(30(28,29)18(2)3)26(21)15-10-19-8-6-5-7-9-19/h5-9,16,18,20,22,27H,4,10-15,17H2,1-3H3/t22-/m1/s1
InChIKeyRLPSMNCSVFEQDJ-JOCHJYFZSA-N
XLogP3.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol with MolForge

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Related Compounds

2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine
CID 45169313
(3S)-3-(methoxymethyl)-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine
CID 42510396
1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 42454774
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
2-[(2S)-1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25286200
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
(8aS)-2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124838678
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45205196
(3S)-1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 29213485
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol?
The IUPAC name of (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol (CID 42517632) is (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol is CC[C@@H](O)C1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1.
What is the InChIKey of (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol?
The InChIKey is RLPSMNCSVFEQDJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-4-22(27)20-11-13-25(14-12-20)17-21-16-24-23(30(28,29)18(2)3)26(21)15-10-19-8-6-5-7-9-19/h5-9,16,18,20,22,27H,4,10-15,17H2,1-3H3/t22-/m1/s1.
What are the key properties of (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol?
(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol has a molecular weight of 433.62 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 42517632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).