(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine

C19H27N3 — CID 124888754

IUPAC(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
SMILESCCn1ccnc1[C@@H]1CCCCN1CCc1ccc(C)cc1
InChIInChI=1S/C19H27N3/c1-3-21-15-12-20-19(21)18-6-4-5-13-22(18)14-11-17-9-7-16(2)8-10-17/h7-10,12,15,18H,3-6,11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyYLIJJKMXTWJCNY-SFHVURJKSA-N
MW297.45 g/mol
LogP3.98
Rot. Bonds5

About (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine

(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine (PubChem CID 124888754) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
PubChem CID124888754
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
SMILESCCn1ccnc1[C@@H]1CCCCN1CCc1ccc(C)cc1
InChIInChI=1S/C19H27N3/c1-3-21-15-12-20-19(21)18-6-4-5-13-22(18)14-11-17-9-7-16(2)8-10-17/h7-10,12,15,18H,3-6,11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyYLIJJKMXTWJCNY-SFHVURJKSA-N
XLogP3.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
CID 166184255
2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 124740922
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 139010291
[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124742119
1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 124890717
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
CID 95819483
4-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 100648651
4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 119037221
(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
CID 124890193
[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 19371488
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine?
The IUPAC name of (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine (CID 124888754) is (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine.
What is the SMILES notation for (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine?
The canonical SMILES for (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine is CCn1ccnc1[C@@H]1CCCCN1CCc1ccc(C)cc1.
What is the InChIKey of (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine?
The InChIKey is YLIJJKMXTWJCNY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3/c1-3-21-15-12-20-19(21)18-6-4-5-13-22(18)14-11-17-9-7-16(2)8-10-17/h7-10,12,15,18H,3-6,11,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine?
(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine has a molecular weight of 297.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 124888754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).