tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate

C14H26N2O2 — CID 145331106

IUPACtert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCN(CC)C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-6-15(7-2)12-8-10-16(11-9-12)13(17)18-14(3,4)5/h8H,6-7,9-11H2,1-5H3
InChIKeyTWYKXXDDNWEZMR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 145331106) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID145331106
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCN(CC)C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-6-15(7-2)12-8-10-16(11-9-12)13(17)18-14(3,4)5/h8H,6-7,9-11H2,1-5H3
InChIKeyTWYKXXDDNWEZMR-UHFFFAOYSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202059
ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12582758
Tert-butyl 4-morpholino-5,6-dihydropyridine-1(2H)-carboxylate
CID 21717544
tert-Butyl 3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 68306290
1-Boc-4-fluoro-1,2,3,6-tetrahydropyridine
CID 21192577
tert-butyl 3-Fluoro-5,6-dihydropyridine-1(2H)-carboxylate
CID 127007463
Tert-butyl 3,3-difluoro-4-pyrrolidin-1-yl-2,6-dihydropyridine-1-carboxylate
CID 169750742
tert-butyl N-chloro-N-[2-[[(E)-5-fluorohex-3-en-3-yl]-methylamino]ethyl]carbamate
CID 170033535
tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
CID 122392020
tert-butyl 4-but-2-ynyl-2H-azete-1-carboxylate
CID 134949571

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 145331106) is tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate is CCN(CC)C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is TWYKXXDDNWEZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-15(7-2)12-8-10-16(11-9-12)13(17)18-14(3,4)5/h8H,6-7,9-11H2,1-5H3.
What are the key properties of tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 145331106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).