(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine

C17H23N3O — CID 96573404

IUPAC(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCOc1ccccc1CN1CCC[C@H](c2nccn2C)C1
InChIInChI=1S/C17H23N3O/c1-19-11-9-18-17(19)15-7-5-10-20(13-15)12-14-6-3-4-8-16(14)21-2/h3-4,6,8-9,11,15H,5,7,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyLGSDAHKEYZLAHI-HNNXBMFYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds4

About (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine

(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine (PubChem CID 96573404) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
PubChem CID96573404
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCOc1ccccc1CN1CCC[C@H](c2nccn2C)C1
InChIInChI=1S/C17H23N3O/c1-19-11-9-18-17(19)15-7-5-10-20(13-15)12-14-6-3-4-8-16(14)21-2/h3-4,6,8-9,11,15H,5,7,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyLGSDAHKEYZLAHI-HNNXBMFYSA-N
XLogP2.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77083372
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193417
(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193416
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine (CID 96573404) is (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine is COc1ccccc1CN1CCC[C@H](c2nccn2C)C1.
What is the InChIKey of (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The InChIKey is LGSDAHKEYZLAHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-11-9-18-17(19)15-7-5-10-20(13-15)12-14-6-3-4-8-16(14)21-2/h3-4,6,8-9,11,15H,5,7,10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine has a molecular weight of 285.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 96573404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).