ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine

C20H44N4O2 — CID 154684282

IUPACethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
SMILESCC.CC.CC.COCCOC1CCN(Cc2cn(C(C)C)nn2)CC1
InChIInChI=1S/C14H26N4O2.3C2H6/c1-12(2)18-11-13(15-16-18)10-17-6-4-14(5-7-17)20-9-8-19-3;3*1-2/h11-12,14H,4-10H2,1-3H3;3*1-2H3
InChIKeyVBEZLNMVTTVYGC-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.57
Rot. Bonds7

About ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine

ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine (PubChem CID 154684282) has the molecular formula C20H44N4O2 and a molecular weight of 372.60 g/mol. Its IUPAC name is ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
PubChem CID154684282
Molecular FormulaC20H44N4O2
Molecular Weight372.60 g/mol
Exact Mass372.35
IUPAC Nameethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
SMILESCC.CC.CC.COCCOC1CCN(Cc2cn(C(C)C)nn2)CC1
InChIInChI=1S/C14H26N4O2.3C2H6/c1-12(2)18-11-13(15-16-18)10-17-6-4-14(5-7-17)20-9-8-19-3;3*1-2/h11-12,14H,4-10H2,1-3H3;3*1-2H3
InChIKeyVBEZLNMVTTVYGC-UHFFFAOYSA-N
XLogP4.57
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The IUPAC name of ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine (CID 154684282) is ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The canonical SMILES for ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine is CC.CC.CC.COCCOC1CCN(Cc2cn(C(C)C)nn2)CC1.
What is the InChIKey of ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The InChIKey is VBEZLNMVTTVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.3C2H6/c1-12(2)18-11-13(15-16-18)10-17-6-4-14(5-7-17)20-9-8-19-3;3*1-2/h11-12,14H,4-10H2,1-3H3;3*1-2H3.
What are the key properties of ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine has a molecular weight of 372.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 154684282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).