(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol

C13H16N4O — CID 154818382

IUPAC(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1cccnc1
InChIInChI=1S/C13H16N4O/c18-12-9-15-5-3-11(12)17-7-6-16-13(17)10-2-1-4-14-8-10/h1-2,4,6-8,11-12,15,18H,3,5,9H2/t11-,12-/m0/s1
InChIKeyKEQXKYOXBXFJHR-RYUDHWBXSA-N
MW244.30 g/mol
LogP0.84
Rot. Bonds2

About (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol

(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol (PubChem CID 154818382) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
PubChem CID154818382
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1cccnc1
InChIInChI=1S/C13H16N4O/c18-12-9-15-5-3-11(12)17-7-6-16-13(17)10-2-1-4-14-8-10/h1-2,4,6-8,11-12,15,18H,3,5,9H2/t11-,12-/m0/s1
InChIKeyKEQXKYOXBXFJHR-RYUDHWBXSA-N
XLogP0.84
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154821312
(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154564535
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154817273
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334678
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
3-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]-7-methyl-1H-quinolin-2-one;dihydrochloride
CID 154923451
(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334075
(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol
CID 155501353
3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride
CID 146064750
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol (CID 154818382) is (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol is O[C@H]1CNCC[C@@H]1n1ccnc1-c1cccnc1.
What is the InChIKey of (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol?
The InChIKey is KEQXKYOXBXFJHR-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H16N4O/c18-12-9-15-5-3-11(12)17-7-6-16-13(17)10-2-1-4-14-8-10/h1-2,4,6-8,11-12,15,18H,3,5,9H2/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol?
(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol has a molecular weight of 244.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol is sourced from PubChem (CID 154818382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).