piperidin-4-yl pyridine-4-carboxylate

C11H14N2O2 — CID 53410138

IUPACpiperidin-4-yl pyridine-4-carboxylate
SMILESO=C(OC1CCNCC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c14-11(9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-2,5-6,10,13H,3-4,7-8H2
InChIKeyXOEUKLPBCRSNCX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.99
Rot. Bonds2

About piperidin-4-yl pyridine-4-carboxylate

piperidin-4-yl pyridine-4-carboxylate (PubChem CID 53410138) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is piperidin-4-yl pyridine-4-carboxylate.

Molecular Properties

Compound Namepiperidin-4-yl pyridine-4-carboxylate
PubChem CID53410138
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namepiperidin-4-yl pyridine-4-carboxylate
SMILESO=C(OC1CCNCC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c14-11(9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-2,5-6,10,13H,3-4,7-8H2
InChIKeyXOEUKLPBCRSNCX-UHFFFAOYSA-N
XLogP0.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperidin-4-yl pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
CID 19790577
dipiperidin-4-yl carbonate
CID 129132812
piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53409845
cyclopropyl 4-fluorobenzoate
CID 126986458
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl pyridine-4-carboxylate?
The IUPAC name of piperidin-4-yl pyridine-4-carboxylate (CID 53410138) is piperidin-4-yl pyridine-4-carboxylate.
What is the SMILES notation for piperidin-4-yl pyridine-4-carboxylate?
The canonical SMILES for piperidin-4-yl pyridine-4-carboxylate is O=C(OC1CCNCC1)c1ccncc1.
What is the InChIKey of piperidin-4-yl pyridine-4-carboxylate?
The InChIKey is XOEUKLPBCRSNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-2,5-6,10,13H,3-4,7-8H2.
What are the key properties of piperidin-4-yl pyridine-4-carboxylate?
piperidin-4-yl pyridine-4-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl pyridine-4-carboxylate is sourced from PubChem (CID 53410138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).