4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine

C23H34N4O2 — CID 154820043

IUPAC4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine
SMILESCC[C@H]1C[C@H](n2ccnc2-c2cccc(OCCCN3CCOCC3)c2)CCN1
InChIInChI=1S/C23H34N4O2/c1-2-20-18-21(7-8-24-20)27-11-9-25-23(27)19-5-3-6-22(17-19)29-14-4-10-26-12-15-28-16-13-26/h3,5-6,9,11,17,20-21,24H,2,4,7-8,10,12-16,18H2,1H3/t20-,21+/m0/s1
InChIKeyBAAXWNKVVULYHW-LEWJYISDSA-N
MW398.55 g/mol
LogP3.35
Rot. Bonds8

About 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine

4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine (PubChem CID 154820043) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine
PubChem CID154820043
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine
SMILESCC[C@H]1C[C@H](n2ccnc2-c2cccc(OCCCN3CCOCC3)c2)CCN1
InChIInChI=1S/C23H34N4O2/c1-2-20-18-21(7-8-24-20)27-11-9-25-23(27)19-5-3-6-22(17-19)29-14-4-10-26-12-15-28-16-13-26/h3,5-6,9,11,17,20-21,24H,2,4,7-8,10,12-16,18H2,1H3/t20-,21+/m0/s1
InChIKeyBAAXWNKVVULYHW-LEWJYISDSA-N
XLogP3.35
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine with MolForge

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Related Compounds

1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 44408021
1-[2-[1-(2-Methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15917635
3-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 44158569
2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3234202
(2S,3S)-N-[[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 11793946
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1H-imidazole
CID 44362145
2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 44527652
1-[3-[4-(1H-imidazol-2-yl)phenoxy]propyl]piperidine
CID 56678518
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86580546
2-[4-[4-[2-(3,5-dimethylmorpholin-4-yl)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 86580710
(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349526
1,1-dimethyl-3-[(1S)-1-[4-[1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]urea
CID 91824890

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine (CID 154820043) is 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine is CC[C@H]1C[C@H](n2ccnc2-c2cccc(OCCCN3CCOCC3)c2)CCN1.
What is the InChIKey of 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine?
The InChIKey is BAAXWNKVVULYHW-LEWJYISDSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-2-20-18-21(7-8-24-20)27-11-9-25-23(27)19-5-3-6-22(17-19)29-14-4-10-26-12-15-28-16-13-26/h3,5-6,9,11,17,20-21,24H,2,4,7-8,10,12-16,18H2,1H3/t20-,21+/m0/s1.
What are the key properties of 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine?
4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine has a molecular weight of 398.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]phenoxy]propyl]morpholine is sourced from PubChem (CID 154820043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).