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

C19H40N4O2 — CID 154684232

IUPACethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
SMILESCC.CC.CCOCCOC1CCN(Cc2cn(C(C)C)nn2)CC1
InChIInChI=1S/C15H28N4O2.2C2H6/c1-4-20-9-10-21-15-5-7-18(8-6-15)11-14-12-19(13(2)3)17-16-14;2*1-2/h12-13,15H,4-11H2,1-3H3;2*1-2H3
InChIKeyDNMSPIQELYOACN-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.93
Rot. Bonds8

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

ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine (PubChem CID 154684232) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
PubChem CID154684232
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC Nameethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
SMILESCC.CC.CCOCCOC1CCN(Cc2cn(C(C)C)nn2)CC1
InChIInChI=1S/C15H28N4O2.2C2H6/c1-4-20-9-10-21-15-5-7-18(8-6-15)11-14-12-19(13(2)3)17-16-14;2*1-2/h12-13,15H,4-11H2,1-3H3;2*1-2H3
InChIKeyDNMSPIQELYOACN-UHFFFAOYSA-N
XLogP3.93
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.93
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-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The IUPAC name of ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine (CID 154684232) is ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The canonical SMILES for ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine is CC.CC.CCOCCOC1CCN(Cc2cn(C(C)C)nn2)CC1.
What is the InChIKey of ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
The InChIKey is DNMSPIQELYOACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.2C2H6/c1-4-20-9-10-21-15-5-7-18(8-6-15)11-14-12-19(13(2)3)17-16-14;2*1-2/h12-13,15H,4-11H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine?
ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine has a molecular weight of 356.56 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethoxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 154684232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).