(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine

C13H23N3O — CID 57291172

IUPAC(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
SMILESCCOCCn1ccnc1[C@H]1CCCN(C)C1
InChIInChI=1S/C13H23N3O/c1-3-17-10-9-16-8-6-14-13(16)12-5-4-7-15(2)11-12/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyNYFFZUFJSUGXPE-LBPRGKRZSA-N
MW237.35 g/mol
LogP1.73
Rot. Bonds5

About (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine

(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine (PubChem CID 57291172) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
PubChem CID57291172
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
SMILESCCOCCn1ccnc1[C@H]1CCCN(C)C1
InChIInChI=1S/C13H23N3O/c1-3-17-10-9-16-8-6-14-13(16)12-5-4-7-15(2)11-12/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyNYFFZUFJSUGXPE-LBPRGKRZSA-N
XLogP1.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-5-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56718322
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70751123
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(3-methoxypropyl)piperidine
CID 72856636
2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine
CID 72889006
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(ethoxyacetyl)piperidine
CID 72937922
7-[(1-Methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97399390
(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
2-[3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 110256935
4-[[8-(Cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 118746954

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
The IUPAC name of (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine (CID 57291172) is (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine.
What is the SMILES notation for (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
The canonical SMILES for (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine is CCOCCn1ccnc1[C@H]1CCCN(C)C1.
What is the InChIKey of (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
The InChIKey is NYFFZUFJSUGXPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-17-10-9-16-8-6-14-13(16)12-5-4-7-15(2)11-12/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine has a molecular weight of 237.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine is sourced from PubChem (CID 57291172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).