5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride

C9H14ClN3O — CID 162339550

IUPAC5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncc(C2CCNCC2)c[nH]1
InChIInChI=1S/C9H13N3O.ClH/c13-9-11-5-8(6-12-9)7-1-3-10-4-2-7;/h5-7,10H,1-4H2,(H,11,12,13);1H
InChIKeyCLPIRNUXCDOWNO-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.66
Rot. Bonds1

About 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride

5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride (PubChem CID 162339550) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
PubChem CID162339550
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncc(C2CCNCC2)c[nH]1
InChIInChI=1S/C9H13N3O.ClH/c13-9-11-5-8(6-12-9)7-1-3-10-4-2-7;/h5-7,10H,1-4H2,(H,11,12,13);1H
InChIKeyCLPIRNUXCDOWNO-UHFFFAOYSA-N
XLogP0.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperidin-4-yl-1H-pyrimidine-2-thione
CID 105449416
1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride
CID 158431188
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
CID 82395604
6-piperidin-4-ylimidazo[1,2-a]pyrimidine
CID 59627469
2-methoxy-3-methyl-5-piperidin-4-ylpyridine
CID 135144983
2-nitro-5-piperidin-4-ylpyridine
CID 118988934
5-piperidin-4-yl-2-pyrrolidin-1-ylpyridine;dihydrochloride
CID 163230170
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
5-cycloheptyl-1H-pyrimidine-2-thione
CID 13164001
2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
CID 121433880
3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 136922606

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride (CID 162339550) is 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride is Cl.O=c1ncc(C2CCNCC2)c[nH]1.
What is the InChIKey of 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is CLPIRNUXCDOWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c13-9-11-5-8(6-12-9)7-1-3-10-4-2-7;/h5-7,10H,1-4H2,(H,11,12,13);1H.
What are the key properties of 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride?
5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 162339550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).