2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride

C15H20Cl2N4O — CID 119915940

IUPAC2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.NCC1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H19ClN4O.ClH/c16-11-4-5-14-18-12(7-15(21)20(14)9-11)10-19-6-2-1-3-13(19)8-17;/h4-5,7,9,13H,1-3,6,8,10,17H2;1H
InChIKeyZGYCUXJCNFVBDH-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.08
Rot. Bonds3

About 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119915940) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119915940
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.NCC1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H19ClN4O.ClH/c16-11-4-5-14-18-12(7-15(21)20(14)9-11)10-19-6-2-1-3-13(19)8-17;/h4-5,7,9,13H,1-3,6,8,10,17H2;1H
InChIKeyZGYCUXJCNFVBDH-UHFFFAOYSA-N
XLogP2.08
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119915940) is 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.NCC1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is ZGYCUXJCNFVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.ClH/c16-11-4-5-14-18-12(7-15(21)20(14)9-11)10-19-6-2-1-3-13(19)8-17;/h4-5,7,9,13H,1-3,6,8,10,17H2;1H.
What are the key properties of 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119915940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).