(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine

C17H23N3 — CID 125014452

IUPAC(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
SMILESCc1cnc([C@@H]2CCCN(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C17H23N3/c1-14-12-18-17(19-14)16-8-5-10-20(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyWMLWIFSFKIESML-MRXNPFEDSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds4

About (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine

(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine (PubChem CID 125014452) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
PubChem CID125014452
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
SMILESCc1cnc([C@@H]2CCCN(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C17H23N3/c1-14-12-18-17(19-14)16-8-5-10-20(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyWMLWIFSFKIESML-MRXNPFEDSA-N
XLogP3.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
CID 110104616
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124970369
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104080
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104068
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine?
The IUPAC name of (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine (CID 125014452) is (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine is Cc1cnc([C@@H]2CCCN(CCc3ccccc3)C2)[nH]1.
What is the InChIKey of (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine?
The InChIKey is WMLWIFSFKIESML-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-12-18-17(19-14)16-8-5-10-20(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine?
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 125014452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).