2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol

C23H35N3O4 — CID 5015414

IUPAC2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCCOCCOCCn1ccnc1C1CCN(Cc2cccc(OCCO)c2)CC1
InChIInChI=1S/C23H35N3O4/c1-2-28-16-17-29-14-12-26-11-8-24-23(26)21-6-9-25(10-7-21)19-20-4-3-5-22(18-20)30-15-13-27/h3-5,8,11,18,21,27H,2,6-7,9-10,12-17,19H2,1H3
InChIKeyUNPCZIYMRBIPMN-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.69
Rot. Bonds13

About 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 5015414) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID5015414
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCCOCCOCCn1ccnc1C1CCN(Cc2cccc(OCCO)c2)CC1
InChIInChI=1S/C23H35N3O4/c1-2-28-16-17-29-14-12-26-11-8-24-23(26)21-6-9-25(10-7-21)19-20-4-3-5-22(18-20)30-15-13-27/h3-5,8,11,18,21,27H,2,6-7,9-10,12-17,19H2,1H3
InChIKeyUNPCZIYMRBIPMN-UHFFFAOYSA-N
XLogP2.69
TPSA68.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 3867153
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
3-[4-[[3-(2-ethoxyethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856414
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3312454
(3aR,7aS)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138387669
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
CID 25037634
(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 70746404
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol (CID 5015414) is 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol is CCOCCOCCn1ccnc1C1CCN(Cc2cccc(OCCO)c2)CC1.
What is the InChIKey of 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is UNPCZIYMRBIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-2-28-16-17-29-14-12-26-11-8-24-23(26)21-6-9-25(10-7-21)19-20-4-3-5-22(18-20)30-15-13-27/h3-5,8,11,18,21,27H,2,6-7,9-10,12-17,19H2,1H3.
What are the key properties of 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 417.55 g/mol, XLogP of 2.69, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 5015414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).