(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine

C20H29N3O — CID 97134256

IUPAC(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine
SMILESCCc1ccccc1OCCN1CCC[C@@H](c2nccn2CC)C1
InChIInChI=1S/C20H29N3O/c1-3-17-8-5-6-10-19(17)24-15-14-22-12-7-9-18(16-22)20-21-11-13-23(20)4-2/h5-6,8,10-11,13,18H,3-4,7,9,12,14-16H2,1-2H3/t18-/m1/s1
InChIKeyNTVAUJIFQUJHGR-GOSISDBHSA-N
MW327.47 g/mol
LogP3.72
Rot. Bonds7

About (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine

(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine (PubChem CID 97134256) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine
PubChem CID97134256
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine
SMILESCCc1ccccc1OCCN1CCC[C@@H](c2nccn2CC)C1
InChIInChI=1S/C20H29N3O/c1-3-17-8-5-6-10-19(17)24-15-14-22-12-7-9-18(16-22)20-21-11-13-23(20)4-2/h5-6,8,10-11,13,18H,3-4,7,9,12,14-16H2,1-2H3/t18-/m1/s1
InChIKeyNTVAUJIFQUJHGR-GOSISDBHSA-N
XLogP3.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193416
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193417
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
2-[2-[(3R)-1-(2-propoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97280164
2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270306
4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72890911
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 70722751
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906922

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine (CID 97134256) is (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine is CCc1ccccc1OCCN1CCC[C@@H](c2nccn2CC)C1.
What is the InChIKey of (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine?
The InChIKey is NTVAUJIFQUJHGR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O/c1-3-17-8-5-6-10-19(17)24-15-14-22-12-7-9-18(16-22)20-21-11-13-23(20)4-2/h5-6,8,10-11,13,18H,3-4,7,9,12,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine?
(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine has a molecular weight of 327.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 97134256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).