4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine

C17H29N3O — CID 70762895

IUPAC4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine
SMILESCOCCn1ccnc1C1CCN(CCC=C(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-15(2)5-4-9-19-10-6-16(7-11-19)17-18-8-12-20(17)13-14-21-3/h5,8,12,16H,4,6-7,9-11,13-14H2,1-3H3
InChIKeyAFBFFVKTXZRIEF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.07
Rot. Bonds7

About 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine

4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine (PubChem CID 70762895) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine
PubChem CID70762895
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine
SMILESCOCCn1ccnc1C1CCN(CCC=C(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-15(2)5-4-9-19-10-6-16(7-11-19)17-18-8-12-20(17)13-14-21-3/h5,8,12,16H,4,6-7,9-11,13-14H2,1-3H3
InChIKeyAFBFFVKTXZRIEF-UHFFFAOYSA-N
XLogP3.07
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
1-(2-methoxyethyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726324
1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidine-4-carbonitrile
CID 77088258
2,2-diethyl-4-[2-(1-methyl-1H-imidazol-2-yl)ethyl]morpholine
CID 132408158
4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine
CID 166274514
2-{4-[(2-cyclohex-3-en-1-yl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethanol
CID 56710356
4-[1-(2-Ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 53816680
3-[1-(2-Ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 54136684
(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 57155907
(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 57291172
4-[2-(2-Propan-2-ylimidazol-1-yl)ethyl]morpholine
CID 58203912
Methyl 2-[2-[[6-(1-methylpiperidin-4-ylidene)cyclohexa-2,4-dien-1-yl]methyl]imidazol-1-yl]acetate
CID 67729432

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine?
The IUPAC name of 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine (CID 70762895) is 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine?
The canonical SMILES for 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine is COCCn1ccnc1C1CCN(CCC=C(C)C)CC1.
What is the InChIKey of 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine?
The InChIKey is AFBFFVKTXZRIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-15(2)5-4-9-19-10-6-16(7-11-19)17-18-8-12-20(17)13-14-21-3/h5,8,12,16H,4,6-7,9-11,13-14H2,1-3H3.
What are the key properties of 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine?
4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine has a molecular weight of 291.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylpent-3-enyl)piperidine is sourced from PubChem (CID 70762895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).