2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine

C23H28N4 — CID 95810615

IUPAC2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
SMILESCCn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1
InChIInChI=1S/C23H28N4/c1-3-27-14-12-24-23(27)17-26-13-6-9-20(16-26)22-11-5-10-21(25-22)19-8-4-7-18(2)15-19/h4-5,7-8,10-12,14-15,20H,3,6,9,13,16-17H2,1-2H3/t20-/m0/s1
InChIKeyDHVLRAOLWHQFCX-FQEVSTJZSA-N
MW360.51 g/mol
LogP4.65
Rot. Bonds5

About 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine (PubChem CID 95810615) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
PubChem CID95810615
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
SMILESCCn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1
InChIInChI=1S/C23H28N4/c1-3-27-14-12-24-23(27)17-26-13-6-9-20(16-26)22-11-5-10-21(25-22)19-8-4-7-18(2)15-19/h4-5,7-8,10-12,14-15,20H,3,6,9,13,16-17H2,1-2H3/t20-/m0/s1
InChIKeyDHVLRAOLWHQFCX-FQEVSTJZSA-N
XLogP4.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
CID 95819373
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
CID 95810588
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
CID 95823426
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
The IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine (CID 95810615) is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine.
What is the SMILES notation for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
The canonical SMILES for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine is CCn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1.
What is the InChIKey of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
The InChIKey is DHVLRAOLWHQFCX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4/c1-3-27-14-12-24-23(27)17-26-13-6-9-20(16-26)22-11-5-10-21(25-22)19-8-4-7-18(2)15-19/h4-5,7-8,10-12,14-15,20H,3,6,9,13,16-17H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine has a molecular weight of 360.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine is sourced from PubChem (CID 95810615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).