(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine

C18H24FN3O — CID 125025540

IUPAC(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CN2CCC[C@@H](c3nc(C)cn3C)C2)ccc1F
InChIInChI=1S/C18H24FN3O/c1-13-10-21(2)18(20-13)15-5-4-8-22(12-15)11-14-6-7-16(19)17(9-14)23-3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3/t15-/m1/s1
InChIKeyZNDHMWHZNDKFOD-OAHLLOKOSA-N
MW317.41 g/mol
LogP3.26
Rot. Bonds4

About (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine

(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine (PubChem CID 125025540) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
PubChem CID125025540
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CN2CCC[C@@H](c3nc(C)cn3C)C2)ccc1F
InChIInChI=1S/C18H24FN3O/c1-13-10-21(2)18(20-13)15-5-4-8-22(12-15)11-14-6-7-16(19)17(9-14)23-3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3/t15-/m1/s1
InChIKeyZNDHMWHZNDKFOD-OAHLLOKOSA-N
XLogP3.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
2-[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124959224
3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 110104154
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 136519607
2-[(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
CID 9388179
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
2-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860350
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 124989956
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 111111498
2-methoxy-4-[[(3R)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenol
CID 125179004
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine (CID 125025540) is (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine is COc1cc(CN2CCC[C@@H](c3nc(C)cn3C)C2)ccc1F.
What is the InChIKey of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine?
The InChIKey is ZNDHMWHZNDKFOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-13-10-21(2)18(20-13)15-5-4-8-22(12-15)11-14-6-7-16(19)17(9-14)23-3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine?
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 125025540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).