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

C18H36N4O2 — CID 154684238

IUPACethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
SMILESCC.CC(C)OCCOC1CCN(Cc2cn(C(C)C)nn2)CC1
InChIInChI=1S/C16H30N4O2.C2H6/c1-13(2)20-12-15(17-18-20)11-19-7-5-16(6-8-19)22-10-9-21-14(3)4;1-2/h12-14,16H,5-11H2,1-4H3;1-2H3
InChIKeyZQTPSXKFJPQAGG-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.29
Rot. Bonds8

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

ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine (PubChem CID 154684238) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
PubChem CID154684238
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Nameethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
SMILESCC.CC(C)OCCOC1CCN(Cc2cn(C(C)C)nn2)CC1
InChIInChI=1S/C16H30N4O2.C2H6/c1-13(2)20-12-15(17-18-20)11-19-7-5-16(6-8-19)22-10-9-21-14(3)4;1-2/h12-14,16H,5-11H2,1-4H3;1-2H3
InChIKeyZQTPSXKFJPQAGG-UHFFFAOYSA-N
XLogP3.29
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.29
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-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The IUPAC name of ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine (CID 154684238) is ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The canonical SMILES for ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine is CC.CC(C)OCCOC1CCN(Cc2cn(C(C)C)nn2)CC1.
What is the InChIKey of ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The InChIKey is ZQTPSXKFJPQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.C2H6/c1-13(2)20-12-15(17-18-20)11-19-7-5-16(6-8-19)22-10-9-21-14(3)4;1-2/h12-14,16H,5-11H2,1-4H3;1-2H3.
What are the key properties of ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine has a molecular weight of 340.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 154684238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).