piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride

C12H17ClN2O2 — CID 53410155

IUPACpiperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNCC1)c1ccncc1
InChIInChI=1S/C12H16N2O2.ClH/c15-12(11-3-7-14-8-4-11)16-9-10-1-5-13-6-2-10;/h3-4,7-8,10,13H,1-2,5-6,9H2;1H
InChIKeyAPXFKDSFESBFQE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.66
Rot. Bonds3

About piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride

piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride (PubChem CID 53410155) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
PubChem CID53410155
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Namepiperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNCC1)c1ccncc1
InChIInChI=1S/C12H16N2O2.ClH/c15-12(11-3-7-14-8-4-11)16-9-10-1-5-13-6-2-10;/h3-4,7-8,10,13H,1-2,5-6,9H2;1H
InChIKeyAPXFKDSFESBFQE-UHFFFAOYSA-N
XLogP1.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53409845
piperidin-4-yl pyridine-4-carboxylate
CID 53410138
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
CID 68534065
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
hydroxymethyl pyridine-4-carboxylate
CID 139367391

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride (CID 53410155) is piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride is Cl.O=C(OCC1CCNCC1)c1ccncc1.
What is the InChIKey of piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride?
The InChIKey is APXFKDSFESBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c15-12(11-3-7-14-8-4-11)16-9-10-1-5-13-6-2-10;/h3-4,7-8,10,13H,1-2,5-6,9H2;1H.
What are the key properties of piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride?
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 53410155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).