(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol

C18H25N3O — CID 97025677

IUPAC(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol
SMILESCC[C@H](O)CN1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C18H25N3O/c1-2-16(22)13-21-10-6-9-15(12-21)18-19-11-17(20-18)14-7-4-3-5-8-14/h3-5,7-8,11,15-16,22H,2,6,9-10,12-13H2,1H3,(H,19,20)/t15-,16-/m0/s1
InChIKeyKWGGNBRHXYXOSS-HOTGVXAUSA-N
MW299.42 g/mol
LogP3.03
Rot. Bonds5

About (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol

(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol (PubChem CID 97025677) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol
PubChem CID97025677
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol
SMILESCC[C@H](O)CN1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C18H25N3O/c1-2-16(22)13-21-10-6-9-15(12-21)18-19-11-17(20-18)14-7-4-3-5-8-14/h3-5,7-8,11,15-16,22H,2,6,9-10,12-13H2,1H3,(H,19,20)/t15-,16-/m0/s1
InChIKeyKWGGNBRHXYXOSS-HOTGVXAUSA-N
XLogP3.03
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol with MolForge

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Related Compounds

1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
CID 10157055
2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 167807274
2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 97082927
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723
5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133430739
4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
CID 133430774
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 154782534
3,5-difluoro-4-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133430705
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol (CID 97025677) is (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol is CC[C@H](O)CN1CCC[C@H](c2ncc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol?
The InChIKey is KWGGNBRHXYXOSS-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-16(22)13-21-10-6-9-15(12-21)18-19-11-17(20-18)14-7-4-3-5-8-14/h3-5,7-8,11,15-16,22H,2,6,9-10,12-13H2,1H3,(H,19,20)/t15-,16-/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol?
(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol has a molecular weight of 299.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 97025677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).