tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone

C16H24N2O3 — CID 175290521

IUPACtert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
SMILESCC(C)(C)OC=O.O=C(c1cccnc1)C1CCCNC1
InChIInChI=1S/C11H14N2O.C5H10O2/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10;1-5(2,3)7-4-6/h1,3,5,7,10,13H,2,4,6,8H2;4H,1-3H3
InChIKeyLTLVEBBOTLNTJX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.22
Rot. Bonds3

About tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone

tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone (PubChem CID 175290521) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Nametert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
PubChem CID175290521
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
SMILESCC(C)(C)OC=O.O=C(c1cccnc1)C1CCCNC1
InChIInChI=1S/C11H14N2O.C5H10O2/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10;1-5(2,3)7-4-6/h1,3,5,7,10,13H,2,4,6,8H2;4H,1-3H3
InChIKeyLTLVEBBOTLNTJX-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
tert-butyl formate;piperidin-3-yl(pyridin-2-yl)methanone
CID 174588553
tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone
CID 174721741
tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
CID 175327380
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone
CID 177314069
tert-butyl formate;pyridine;pyrrolidine
CID 175607209
(6-bromo-3-pyridinyl)-piperidin-4-ylmethanone;tert-butyl formate
CID 175122441
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
tert-butyl formate;(4-chlorophenyl)-piperidin-4-ylmethanone
CID 175329360

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone?
The IUPAC name of tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone (CID 175290521) is tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone.
What is the SMILES notation for tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone?
The canonical SMILES for tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone is CC(C)(C)OC=O.O=C(c1cccnc1)C1CCCNC1.
What is the InChIKey of tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone?
The InChIKey is LTLVEBBOTLNTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C5H10O2/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10;1-5(2,3)7-4-6/h1,3,5,7,10,13H,2,4,6,8H2;4H,1-3H3.
What are the key properties of tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone?
tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 175290521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).