propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C14H25NO3 — CID 146332633

IUPACpropan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OCCC1=CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-11(2)17-10-7-13-5-8-15(9-6-13)14(16)18-12(3)4/h5,11-12H,6-10H2,1-4H3
InChIKeyWFCWLOGLQFQHKN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds5

About propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 146332633) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID146332633
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namepropan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OCCC1=CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-11(2)17-10-7-13-5-8-15(9-6-13)14(16)18-12(3)4/h5,11-12H,6-10H2,1-4H3
InChIKeyWFCWLOGLQFQHKN-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 146332633) is propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)OCCC1=CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WFCWLOGLQFQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)17-10-7-13-5-8-15(9-6-13)14(16)18-12(3)4/h5,11-12H,6-10H2,1-4H3.
What are the key properties of propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-propan-2-yloxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 146332633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).