pyridin-2-yl piperidine-4-carboxylate;hydrochloride

C11H15ClN2O2 — CID 174342486

IUPACpyridin-2-yl piperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccccn1)C1CCNCC1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(9-4-7-12-8-5-9)15-10-3-1-2-6-13-10;/h1-3,6,9,12H,4-5,7-8H2;1H
InChIKeyGSQRHRPFULPUNI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.41
Rot. Bonds2

About pyridin-2-yl piperidine-4-carboxylate;hydrochloride

pyridin-2-yl piperidine-4-carboxylate;hydrochloride (PubChem CID 174342486) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is pyridin-2-yl piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namepyridin-2-yl piperidine-4-carboxylate;hydrochloride
PubChem CID174342486
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Namepyridin-2-yl piperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccccn1)C1CCNCC1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(9-4-7-12-8-5-9)15-10-3-1-2-6-13-10;/h1-3,6,9,12H,4-5,7-8H2;1H
InChIKeyGSQRHRPFULPUNI-UHFFFAOYSA-N
XLogP1.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl cyclopropanecarboxylate
CID 135376948
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
(5-bromo-2-pyridinyl) piperidine-4-carboxylate
CID 153380500
(2-hydroxyphenyl) piperidine-4-carboxylate
CID 117125932
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 67291878
dipyridin-2-yl carbonate
CID 2757370
ethane;2-piperidin-4-yloxypyridine
CID 142889945
2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71302121
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
pyridin-2-yl N-(azetidin-3-yl)carbamate
CID 175981988
(2-tert-butylphenyl) piperidine-4-carboxylate
CID 82121784
phenyl (3S)-pyrrolidine-3-carboxylate
CID 130688527

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl piperidine-4-carboxylate;hydrochloride?
The IUPAC name of pyridin-2-yl piperidine-4-carboxylate;hydrochloride (CID 174342486) is pyridin-2-yl piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for pyridin-2-yl piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for pyridin-2-yl piperidine-4-carboxylate;hydrochloride is Cl.O=C(Oc1ccccn1)C1CCNCC1.
What is the InChIKey of pyridin-2-yl piperidine-4-carboxylate;hydrochloride?
The InChIKey is GSQRHRPFULPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c14-11(9-4-7-12-8-5-9)15-10-3-1-2-6-13-10;/h1-3,6,9,12H,4-5,7-8H2;1H.
What are the key properties of pyridin-2-yl piperidine-4-carboxylate;hydrochloride?
pyridin-2-yl piperidine-4-carboxylate;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 174342486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).