piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride

C11H15ClN2O — CID 46736476

IUPACpiperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccnc1)C1CCNCC1
InChIInChI=1S/C11H14N2O.ClH/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10;/h1-2,5,8-9,12H,3-4,6-7H2;1H
InChIKeyVHMXLGUEKBKKGZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.69
Rot. Bonds2

About piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride

piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride (PubChem CID 46736476) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
PubChem CID46736476
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Namepiperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccnc1)C1CCNCC1
InChIInChI=1S/C11H14N2O.ClH/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10;/h1-2,5,8-9,12H,3-4,6-7H2;1H
InChIKeyVHMXLGUEKBKKGZ-UHFFFAOYSA-N
XLogP1.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone
CID 67993080
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
CID 175290521
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
CID 155730474
CID 155730474
1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 152798944
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride?
The IUPAC name of piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride (CID 46736476) is piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride.
What is the SMILES notation for piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride?
The canonical SMILES for piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride is Cl.O=C(c1cccnc1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride?
The InChIKey is VHMXLGUEKBKKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10;/h1-2,5,8-9,12H,3-4,6-7H2;1H.
What are the key properties of piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride?
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 46736476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).