2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol

C14H16ClN3O — CID 156583604

IUPAC2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol
SMILESOc1cccc(-c2nccn2[C@@H]2CCCNC2)c1Cl
InChIInChI=1S/C14H16ClN3O/c15-13-11(4-1-5-12(13)19)14-17-7-8-18(14)10-3-2-6-16-9-10/h1,4-5,7-8,10,16,19H,2-3,6,9H2/t10-/m1/s1
InChIKeyFENZXUSERHYLNW-SNVBAGLBSA-N
MW277.75 g/mol
LogP2.83
Rot. Bonds2

About 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol

2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol (PubChem CID 156583604) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol
PubChem CID156583604
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol
SMILESOc1cccc(-c2nccn2[C@@H]2CCCNC2)c1Cl
InChIInChI=1S/C14H16ClN3O/c15-13-11(4-1-5-12(13)19)14-17-7-8-18(14)10-3-2-6-16-9-10/h1,4-5,7-8,10,16,19H,2-3,6,9H2/t10-/m1/s1
InChIKeyFENZXUSERHYLNW-SNVBAGLBSA-N
XLogP2.83
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 54592668
1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone
CID 156583748
2-(1-piperidin-3-ylimidazol-2-yl)ethanamine
CID 84733200
3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11209424
(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
CID 175514288
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
2-benzylsulfanyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)pyrimidine
CID 70709377
3-amino-5-(3-fluoro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11289689
1-[(3S)-pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethyl)phenyl]imidazole;dihydrochloride
CID 154923690
4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154817273
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol?
The IUPAC name of 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol (CID 156583604) is 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol.
What is the SMILES notation for 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol?
The canonical SMILES for 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol is Oc1cccc(-c2nccn2[C@@H]2CCCNC2)c1Cl.
What is the InChIKey of 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol?
The InChIKey is FENZXUSERHYLNW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-13-11(4-1-5-12(13)19)14-17-7-8-18(14)10-3-2-6-16-9-10/h1,4-5,7-8,10,16,19H,2-3,6,9H2/t10-/m1/s1.
What are the key properties of 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol?
2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol has a molecular weight of 277.75 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol is sourced from PubChem (CID 156583604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).